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66-71-7

Basic Information
CAS No.: 66-71-7
Name: 1,10-Phenanthroline
Molecular Structure:
Molecular Structure of 66-71-7 (1,10-Phenanthroline)
Formula: C12H8N2
Molecular Weight: 180.21
Synonyms: 1,10-o-Phenanthroline;4,5-Diazaphenanthrene;β-Phenanthroline;phenanthroline;
EINECS: 200-629-2
Density: 1.25 g/cm3
Melting Point: 114-117°C(lit.)
Boiling Point: 365.089 °C at 760 mmHg
Flash Point: 164.756 °C
Solubility: slightly soluble in water
Appearance: off-white powder
Hazard Symbols: ToxicT,DangerousN
Risk Codes: 25-50/53
Safety: 45-60-61
Transport Information: UN 2811 6.1/PG 3
PSA: 25.78000
LogP: 2.78300
Synthetic route
122108-94-5

{(C12H8N2)((C6H5)3P)Cu(O2CC5H7N2)(H2O)}

A

66-71-7

1,10-Phenanthroline

B

{copper(I)-3,5-dimethylpyrazolate}(n)

Conditions
ConditionsYield
In acetone byproducts: CO2, H2O, PPh3; N2 bubbled through an acetone suspn. of the Cu-complex (0°C), low ratio Cu complex : acetone;A n/a
B 91%
In solid byproducts: CO2, H2O, PPh3; maintained at 120°C under vac. (1E-2 Torr);
3188-84-9

1,2,3,4-tetrahydro-1,10-phenanthroline

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With copper(I) oxide; dmap; N-hydroxyphthalimide; oxygen In acetonitrile at 120℃; for 12h; Sealed tube;80%
With potassium tert-butylate In o-xylene at 140℃; for 36h; Inert atmosphere;15%
With platinum; oxygen In methanol at 40℃; under 750.075 Torr; Schlenk technique; Sealed tube;100 %Chromat.
With tert.-butylhydroperoxide In water at 20℃; for 18h; Sealed tube;78 %Spectr.

[Ru(1,10-phenanthroline)2Cl2]

di (1,10-phenanthroline)silver(I) nitrate

A

66-71-7

1,10-Phenanthroline

B

14126-11-5

{Ru(1,10-phenanthroline)3}(NO3)2*2H2O

Conditions
ConditionsYield
With NaNO3 In methanol byproducts: AgCl; heated to reflux for 15 min; cooled, filtered, concd., addn. of an aq. soln. of NaNO3, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;A n/a
B 75%

[Ru(1,10-phenanthroline)2Cl2]

58034-59-6

{Ag(1,10-phenanthroline)2}ClO4

sodium perchlorate

A

66-71-7

1,10-Phenanthroline

B

{Ru(phan)3}(ClO4)2*H2O

Conditions
ConditionsYield
In methanol byproducts: AgCl; heated to reflux for 15 min; cooled, filtered, concd., addn. of an aq. soln. of NaClO4, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;A n/a
B 75%
942267-02-9

(Z)-1,2-di(2-bromopyridin-3-yl)ethene

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With copper In N,N-dimethyl-formamide for 5h; Ullmann coupling; Heating;67%
65115-91-5

5,6-epoxy-5,6-dihydro-[1,10]phenanthroline

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With 2,4,6-trimereaptotriazine, trisodium salt, nonahydrate In ethanol65%

2,3-dinitrobenzene-1,4-dicarbaldehyde

75-07-0

acetaldehyde

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 8h; Sealed tube; Reflux;64%

ruthenium(III) chloride trihydrate

di (1,10-phenanthroline)silver(I) nitrate

A

66-71-7

1,10-Phenanthroline

B

14126-11-5

{Ru(1,10-phenanthroline)3}(NO3)2*2H2O

Conditions
ConditionsYield
With NaNO3 In methanol byproducts: AgCl; heated to reflux for 30 min; cooled, filtered, concd., addn. of an aq. soln. of NaNO3, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;A n/a
B 55%

ruthenium(III) chloride trihydrate

58034-59-6

{Ag(1,10-phenanthroline)2}ClO4

sodium perchlorate

A

66-71-7

1,10-Phenanthroline

B

{Ru(phan)3}(ClO4)2*H2O

Conditions
ConditionsYield
In methanol byproducts: AgCl; heated to reflux for 30 min; cooled, filtered, concd., addn. of an aq. soln. of NaClO4, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;A n/a
B 55%

2,3-diaminobenzene-1,4-dicarbaldehyde

75-07-0

acetaldehyde

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With potassium hydroxide In ethanol at 80℃; for 8h; Schlenk technique;47%
815-68-9

3-acetylpentane-2,4-dione

158753-17-4

8-amino-7-quinolinecarbaldehyde

A

66-71-7

1,10-Phenanthroline

B

3002-77-5

2-methyl-1,10-phenanthroline

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 8h; Friedlaender reaction; Heating;A 33%
B 39%
578-66-5

8-amino quinoline

66-71-7

1,10-Phenanthroline

95-54-5

1,2-diamino-benzene

56-81-5

glycerol

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With sulfuric acid; nitrobenzene
With sulfuric acid; orthoarsenic acid
95-54-5

1,2-diamino-benzene

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With sulfuric acid; orthoarsenic acid; glycerol
With sulfuric acid; orthoarsenic acid; glycerol Reagens 4: HgCl2;
23647-26-9

1-methyl-1,10-phenanthrolinium iodide

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
With sulfolane; triphenylphosphine at 151℃; Rate constant;
2143-61-5

n-Propyl-Radikal

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

5331-48-6

n-propylacetamide

D

80186-77-2

4-propyl-[1,10]phenanthroline

Conditions
ConditionsYield
With tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate) In acetonitrile at 25℃; Rate constant; competition with BrCCL3, other complexes;
3531-45-1

n-propyltrimethyltin

75-05-8

acetonitrile

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

5331-48-6

n-propylacetamide

D

80186-77-2

4-propyl-[1,10]phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;
3531-46-2

Isopropyl-trimethyl-stannane

75-05-8

acetonitrile

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

1118-69-0

N-isopropylacetamide

D

80186-78-3

4-isopropyl-1,10-phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;
653-37-2

perfluorobenzaldehyde

66-71-7

C12H9N2

A

66-71-7

1,10-Phenanthroline

B

C7HF5O(1-)

Conditions
ConditionsYield
In water Rate constant; Equilibrium constant; Irradiation; HClO4, H2KPO4, Na2HPO4, Na2B2O7, NaOH, t-BuOH;
652-29-9

2',3',4',5',6'-pentafluoroacetophenone

66-71-7

C12H9N2

A

66-71-7

1,10-Phenanthroline

B

2,3,4,5,6-Pentafluoroacetophenone radical anion

Conditions
ConditionsYield
In water Rate constant; Equilibrium constant; Irradiation; HClO4, H2KPO4, Na2HPO4, Na2B2O7, NaOH, t-BuOH;
3531-45-1

n-propyltrimethyltin

Fe(phenanthroline)3(PF6)3

Fe(phenanthroline)3(PF6)3

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

5331-48-6

n-propylacetamide

D

80186-77-2

4-propyl-[1,10]phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;
3531-45-1

n-propyltrimethyltin

Os(phenanthroline)3(PF6)3

Os(phenanthroline)3(PF6)3

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

5331-48-6

n-propylacetamide

D

80186-77-2

4-propyl-[1,10]phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 25 deg C; Yield given. Multistep reaction. Yields of byproduct given;
3531-45-1

n-propyltrimethyltin

Ru(phenanthroline)3(PF6)3

Ru(phenanthroline)3(PF6)3

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

5331-48-6

n-propylacetamide

D

80186-77-2

4-propyl-[1,10]phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 25 deg C; Yield given. Multistep reaction. Yields of byproduct given;
594-27-4

tetramethylstannane

Fe(phenanthroline)3(PF6)3

Fe(phenanthroline)3(PF6)3

A

66-71-7

1,10-Phenanthroline

B

31301-28-7

4-methyl-1,10-phenanthroline

C

(CH3)3Sn(NH3)2PF6

(CH3)3Sn(NH3)2PF6

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 70 deg C, 2 h; Yield given. Multistep reaction;
3531-44-0

Ethyltrimethylstannan

Fe(phenanthroline)3(PF6)3

Fe(phenanthroline)3(PF6)3

A

80206-19-5

4-ethyl-[1,10]phenanthroline

B

66-71-7

1,10-Phenanthroline

C

31301-28-7

4-methyl-1,10-phenanthroline

D

625-50-3

N-ethylacetamide

E

Me3Sn(NH3)2PF6

Me3Sn(NH3)2PF6

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;
3531-44-0

Ethyltrimethylstannan

75-05-8

acetonitrile

A

80206-19-5

4-ethyl-[1,10]phenanthroline

B

66-71-7

1,10-Phenanthroline

C

31301-28-7

4-methyl-1,10-phenanthroline

D

625-50-3

N-ethylacetamide

E

Me3Sn(NH3)2PF6

Me3Sn(NH3)2PF6

Conditions
ConditionsYield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;
3531-46-2

Isopropyl-trimethyl-stannane

Fe(phenanthroline)3(PF6)3

Fe(phenanthroline)3(PF6)3

A

66-71-7

1,10-Phenanthroline

B

187737-37-7

propene

C

1118-69-0

N-isopropylacetamide

D

80186-78-3

4-isopropyl-1,10-phenanthroline

Conditions
ConditionsYield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

methyltrioxorhenium and 1,10-phenanthroline 1:1 complex

366-18-7

[2,2]bipyridinyl

A

methyltrioxorhenium and 2,2'-bipyridine 1:1 complex

B

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
at 21.85℃; Equilibrium constant;
7521-41-7

2-Aminonicotinaldehyde

methanolic KOH

methanolic KOH

66-71-7

1,10-Phenanthroline

Conditions
ConditionsYield
In ethanol; dichloromethane
66-71-7

1,10-Phenanthroline

4199-88-6

5-Nitro-1,10-phenanthroline

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 160℃; for 3h;100%
With sulfuric acid; nitric acid at 160℃;99%
With sulfuric acid; nitric acid at 160℃; for 3h;99%
66-71-7

1,10-Phenanthroline

27318-90-7

1,10-phenanthroline-5,6-dione

Conditions
ConditionsYield
With sulfuric acid; nitric acid; sodium bromide at 90℃; for 2h;100%
With sulfuric acid; nitric acid; potassium bromide at 130℃; for 3h;98.1%
With sulfuric acid; nitric acid; potassium bromide at 95℃; for 3h; Cooling with ice; Sealed tube; Schlenk technique;97%
66-71-7

1,10-Phenanthroline

109-64-8

1,3-dibromo-propane

15302-99-5

6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-l,m,n][1,10]phenanthroline-4,8-diium dibromide

Conditions
ConditionsYield
In chlorobenzene at 70 - 120℃;100%
In nitrobenzene at 120℃;100%
for 12h; Reflux;99%
66-71-7

1,10-Phenanthroline

12146-37-1, 124717-04-0

(bicyclo[2.2.1]hepta-2,5-diene)tetracarbonylmolybdenum(0)

A

15740-78-0

(1,10-phenanthroline)molybdenum tetracarbonyl

B

121-46-0

bicyclo[2.2.1]hepta-2,5-diene

Conditions
ConditionsYield
In tetrahydrofuran reaction in a calorimeter under argon;A 100%
B n/a
7647-01-0

hydrogenchloride

66-71-7

1,10-Phenanthroline

10466-65-6

potassium perrhenate

A

dipotassium oxopentachlororhenate(5+)

B

17428-51-2

o-phenanthrolinium oxopentachlororhenate(V)

Conditions
ConditionsYield
With hydroquinone In acetic anhydride; acetic acid under N2 at room temp.; passing HCl gas through soln. of KReO4 in acetic acid and (Ac)2O till clear soln. (rhenate), mixed with hydroquinone inacetic acid, pptn. of KReOCl5, to mother liquor addn. of phenanthrolinen AcOH contg. (Ac)2O, pptn.; filtered, washed (acetic acid), kept in vacuo for 5 h; elem. anal.;A 100%
B 100%
66-71-7

1,10-Phenanthroline

10466-65-6

potassium perrhenate

17428-51-2

o-phenanthrolinium oxopentachlororhenate(V)

Conditions
ConditionsYield
With hydroquinone In hydrogenchloride under N2 at room temp.; KReO4 suspended in concd. HCl, shaken, addn. ofhydroquinone in concd. HCl, yellow soln. obtained, addn. of phenanthroline, pptn.; filtered, washed (acetic acid), kept in vacuo for 5 h;100%
75-77-4

chloro-trimethyl-silane

66-71-7

1,10-Phenanthroline

molybdenium(II) acetate dimer

178552-10-8

Mo2Cl4(C12H8N2)2

Conditions
ConditionsYield
In tetrahydrofuran (Ar); stirring (5 h); washing (hexane), drying (vac.); elem. anal.;100%
66-71-7

1,10-Phenanthroline

52462-29-0

[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2

861392-78-1

chloro(p-cymene)(η2-1,10-phenanthroline-κ2N)ruthenium

Conditions
ConditionsYield
In dichloromethane at 20℃; for 3h; Inert atmosphere; Schlenk technique;100%
In dichloromethane inert atm.; 2 equiv of phenanthroline was added to a suspn. of complex in CH2Cl2, the mixt. was stirred for 3 h at room temp.; evapd. to dryness, dissolved in water, filtered, evapd. to dryness; elem. anal.;99%
In dichloromethane at 20℃; for 0.5h;51%
66-71-7

1,10-Phenanthroline

8Cu(1+)*8((CH3)2CH)3C6H2S(1-)=[CuS((CH3)2CH)3C6H2]8

[CuS((CH3)2CH)3C6H2]2(C12H8N2)2

Conditions
ConditionsYield
In toluene Ar atm.; stirring; concn., addn. of hexane, crystn. (-30°C, overnight), filtn., drying (vac., 40°C);100%
66-71-7

1,10-Phenanthroline

64443-05-6

tetrakis(actonitrile)copper(I) hexafluorophosphate

124318-69-0

2,9-bis(2,6-dimethoxyphenyl)-3-ethynyl-[1,10]-phenanthroline

1196061-73-0

Cu(C12H6N2(C6H3(OCH3)2)2)(C12H8N2)(1+)*PF6(1-)=CuC40H32N4O4PF6

Conditions
ConditionsYield
In [D3]acetonitrile100%
66-71-7

1,10-Phenanthroline

7783-68-8

niobium pentafluoride

4648-54-8

trimethylsilylazide

1628265-33-7

[Nb(N3)4(1,10-phen)2][Nb(N3)6]

Conditions
ConditionsYield
In acetonitrile at -196 - 20℃; for 6h;100%
66-71-7

1,10-Phenanthroline

7783-71-3

tantalum pentafluoride

4648-54-8

trimethylsilylazide

1628265-35-9

[Ta(N3)4(1,10-phen)2][Ta(N3)6]

Conditions
ConditionsYield
In acetonitrile at -196 - 20℃; for 6h;100%
66-71-7

1,10-Phenanthroline

64443-05-6

tetrakis(actonitrile)copper(I) hexafluorophosphate

C186H146N14Zn*1.5CH2Cl2

C210H162Cu2N18Zn(2+)*2F6P(1-)

Conditions
ConditionsYield
In dichloromethane-d2100%
66-71-7

1,10-Phenanthroline

1613741-33-5

2-(6-(2,4,6-trimethylphenyl)pyridin-2-yl)-9-(2,4,6-trimethylphenyl)[1,10]phenanthroline

54010-75-2

zinc trifluoromethanesulfonate

Zn(2+)*2CF3O3S(1-)*C35H31N3*C12H8N2

Conditions
ConditionsYield
In dichloromethane-d2; [D3]acetonitrile100%
66-71-7

1,10-Phenanthroline

copper(II) perchlorate hexahydrate

1613741-33-5

2-(6-(2,4,6-trimethylphenyl)pyridin-2-yl)-9-(2,4,6-trimethylphenyl)[1,10]phenanthroline

C47H39CuN5(2+)*2ClO4(1-)

Conditions
ConditionsYield
In dichloromethane-d2; [D3]acetonitrile100%
108-86-1

bromobenzene

66-71-7

1,10-Phenanthroline

15302-81-5

6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-4,8-diium

Conditions
ConditionsYield
at 115℃; for 4h;100%
66-71-7

1,10-Phenanthroline

bromotris(pentafluoroethyl)stannane

bromotris(pentafluoroethyl)-1,10-phenanthrolinetin(IV)

Conditions
ConditionsYield
In dichloromethane at 20℃; for 30h; Inert atmosphere; Schlenk technique;100%
66-71-7

1,10-Phenanthroline

dibromobis(pentafluoroethyl)stannane

dibromobis(pentafluoroethyl)-1,10-phenanthrolinetin(IV)

Conditions
ConditionsYield
In dichloromethane for 30h; Inert atmosphere; Schlenk technique;100%
66-71-7

1,10-Phenanthroline

iodotris(pentafluoroethyl)stannane

C16H8F15IN2Sn

Conditions
ConditionsYield
In dichloromethane at 20℃; for 1h;100%
66-71-7

1,10-Phenanthroline

718-64-9

1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol

1197008-50-6

C30H37N3W

(2-trifluoromethyl-2-phenyl-1,1,1-trifluoroethoxy)-2,6-dimethylphenylimide tungsten (VI) (2,5-dimethylpyrrolide)(neophylidene)(1,10-phenanthroline)

Conditions
ConditionsYield
Stage #1: 1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol; C30H37N3W In benzene at 20℃; for 0.5h;
Stage #2: 1,10-Phenanthroline In benzene at 20℃; for 1h;
100%
66-71-7

1,10-Phenanthroline

copper(ll) sulfate pentahydrate

bis(triethylammonium)-decahydro-closo-decaborate

[Cu(phen)2][B10H10]

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide for 0.0833333h;100%
66-71-7

1,10-Phenanthroline

4648-54-8

trimethylsilylazide

7783-63-3

titanium(IV) fluoride

C12H8N14Ti

Conditions
ConditionsYield
In acetonitrile at -196 - 20℃; for 16h;100%
66-71-7

1,10-Phenanthroline

888020-56-2

tris(p-trifluoromethylphenyl)phosphine gold bis(trifluoromethanesulfonyl)imidate

C33H20AuF9N2P(1+)*C2F6NO4S2(1-)

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

tris(4-methoxyphenyl)phosphine gold bis(trifluoromethanesulfonyl)imidate

C33H29AuN2O3P(1+)*C2F6NO4S2(1-)

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

890410-20-5

[(C6F5)3PAuNTf2]

(Phen)(C6F5)3PAu(I)NTf2

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

1160111-28-3

[(Cy3P)Au]N(trifluoromethylsulfonyl)2

C30H41AuN2P(1+)*C2F6NO4S2(1-)

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

1644306-41-1

(p-tolyl)3PAuN(trifluoromethanesulfonyl)2

C33H29AuN2P(1+)*C2F6NO4S2(1-)

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

1160111-27-2

Au(PMe3)NTf2

C15H17AuN2P(1+)*C2F6NO4S2(1-)

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

866395-16-6, 1246810-76-3

[bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I)

(Phen)Ph3PAuINTf2

Conditions
ConditionsYield
In dichloromethane Inert atmosphere;100%
66-71-7

1,10-Phenanthroline

12C17H16N6O2*4Fe(2+)*8CF3O3S(1-)

A

85152-70-1

tris(1,10-phenanthroline)iron(II) triflate

B

1-([2,2'-bipyridine]-5-ylmethyl)-3-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)urea

Conditions
ConditionsYield
In [D3]acetonitrileA 100%
B n/a
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    Min.Order: 1 Kilogram

    FOB Price:  USD $ 3.0-3.0/Kilogram

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    66-71-7

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    66-71-7

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    Business Type:Manufacturers

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    Business Type:Lab/Research institutions

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    Address:No.200 Zhenhua Rd.Xihu Industrial Park, Hangzhou 310030, China

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    66-71-7

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    1,10-Phenanthroline

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  • 1,10-Phenanthroline

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    1,10-Phenanthroline

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Reported in EPA TSCA Inventory.

Specification

The 1,10-Phenanthroline, with the CAS registry number 66-71-7 and EINECS registry number 200-629-2, has the systematic name of 1,10-o-Phenanthroline. And the molecular formula of this chemical is C12H8N2. It is a kind of off-white powder, and belongs to the following product categories: Industrial/Fine Chemicals; Heterocyclic Building Blocks; N-Containing.

The physical properties of 1,10-Phenanthroline are as following: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.085; (4)ACD/LogD (pH 7.4): 2.244; (5)ACD/BCF (pH 5.5): 20.669; (6)ACD/BCF (pH 7.4): 29.861; (7)ACD/KOC (pH 5.5): 273.539; (8)ACD/KOC (pH 7.4): 395.176; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 58.12 cm3; (15)Molar Volume: 144.113 cm3; (16)Polarizability: 23.041×10-24cm3; (17)Surface Tension: 61.295 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 164.756 °C; (20)Enthalpy of Vaporization: 58.73 kJ/mol; (21)Boiling Point: 365.089 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and uses of 1,10-Phenanthroline: It can be prepared by heating the o-phenylenediamine and glycerol, nitrobenzene and sulfuric acid. And it is often used as electroplating additives and analytical reagent. It is also used as redox indicator. What's more, it is used as reagent for the determination of iron, palladium, vanadium, copper and iron.

Chemical reaction: It is used in the synthesis of other chemicals. For example, it can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline. This reaction will need reagent H2O, and the solvents MnO2 and toluene. The reaction time is 16 hours with temperature of 20°C, and the yield is about 62%.

1,10-Phenanthroline can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline

You should be cautious while dealing with this chemical. It is toxic if swallowed. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment . Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccc3cccnc3c2nc1
(2)InChI: InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
(3)InChIKey: DGEZNRSVGBDHLK-UHFFFAOYAW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 137, Pg. 1, 1962.