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3829-86-5

Basic Information
CAS No.: 3829-86-5
Name: o-Phenanthroline monohydrochloride monohydrate
Molecular Structure:
Molecular Structure of 3829-86-5 (o-Phenanthroline monohydrochloride monohydrate)
Formula: C12H8N2.HCl
Molecular Weight: 216.67
Synonyms: 1,10-Phenanthroline,monohydrochloride (8CI,9CI);1,10-Diazaphenanthrene hydrochloride;1,10-Phenanthroline hydrochloride;NSC 4265;
EINECS: 223-325-1
Density: 1.385 g/cm3 (-100.15 C)
Melting Point: 224-225 °C(lit.)
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 164.8 °C
Solubility: soluble in water
Appearance: white to light yellow or slightly purple 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: 3.58500
Synthetic route
3829-86-5

1,10-phenanthroline hydrochloride

copper dichloride

(1,5,9,13-tetraaza-3,4,7,8,11,12,15,16-tetrabenzocyclohexadeca-1,3,5,7,9,11,13,16-octaene)copper(I) nitrate

Conditions
ConditionsYield
In water from aq. soln. of CuCl2 and soln. of phenanthroline hydrochloride in 2:1, 1:1 molar ratio at pH 6.5 maintained by an alkali soln.; solvent evapd. in a water bath; ppt. washed (H2O); dried (air); elem. anal.;96%
3829-86-5

1,10-phenanthroline hydrochloride

copper dichloride

[Cu(II)(1,10-phenantroline)2(H2O)]Cl2 complex

Conditions
ConditionsYield
In water from aq. soln. of CuCl2 and soln. of phenanthroline hydrochloride in 1:2, 1:3 molar ratio at pH 6.5 maintained by an alkali soln.; solvent evapd. in a water bath; ppt. washed (H2O); dried (air); elem. anal.;90%
3829-86-5

1,10-phenanthroline hydrochloride

90076-65-6

bis(trifluoromethane)sulfonimide lithium

1309962-26-2

C2HF6NO4S2*C12H8N2

Conditions
ConditionsYield
With water at 20℃; for 2h;90%

copper(II) choride dihydrate

3829-86-5

1,10-phenanthroline hydrochloride

555-06-6

sodium p-aminobenzoate

[Cu(phen)2Cl]Cl*2p‑aminobenzoic acid*4H2O

Conditions
ConditionsYield
In methanol for 1h;88%
Conditions
ConditionsYield
In methanol byproducts: Mn(2+); stirring 1:1:2:2 mixt. of copper, permanganate salt, phenanthroline deriv., NH4Cl in methanol at 50-60°C in air for 2 h; addn. of isopropanol, isolation of crystals, elem. anal.;87%
Conditions
ConditionsYield
In methanol; N,N-dimethyl-formamide byproducts: Mn(2+); stirring 1:1:2:2 mixt. of copper, permanganate salt, phenanthroline deriv., NH4Cl in methanol and DMF at 50-60°C in air for 2 h; addn. of isopropanol, isolation of crystals, elem. anal.;82%

HP(C2H5)2C6H5(1+)*Cr(NCS)4(P(C2H5)2C6H5)2(1-) = {HP(C2H5)2C6H5}{Cr(NCS)4(P(C2H5)2C6H5)2}

3829-86-5

1,10-phenanthroline hydrochloride

C12H9N2(1+)*Cr(NCS)4(P(C2H5)2C6H5)2(1-) = {C12H9N2}{Cr(NCS)4(P(C2H5)2C6H5)2}

Conditions
ConditionsYield
In methanol; water; butan-1-ol dissolving of amine hydrochloride in water, addn. of the phosphine-complex in methanol-butanol; filtn. after 10-15 min, washing (methanol), drying at room temp. in air, elem. anal.;72%

nitridotechnetic(VI) acid

3829-86-5

1,10-phenanthroline hydrochloride

131810-72-5

nitridoperoxo 1,10-phenanthroline technetium(VII)

Conditions
ConditionsYield
elem. anal.;70%

{HP(C2H5)2C6H4CH3}(1+)*Cr(NCS)4(P(C2H5)2C6H4CH3)2(1-) = {HP(C2H5)2C6H4CH3}{Cr(NCS)4(P(C2H5)2C6H4CH3)2}

3829-86-5

1,10-phenanthroline hydrochloride

C12H9N2(1+)*Cr(NCS)4(P(C2H5)2C6H4CH3)2(1-) = {C12H9N2}{Cr(NCS)4(P(C2H5)2C6H4CH3)2}

Conditions
ConditionsYield
In water dissolving of amine hydrochloride in water, addn. of Cr complex; addn. of methanol-butanol, filtn. after 10-15 min, washing (methanol), drying at room temp. in air, elem. anal.;65%

mer-diaqua(oxydiacetato)oxovanadium(IV)

3829-86-5

1,10-phenanthroline hydrochloride

o-phenanthroline(oxydiacetato)oxovanadium(IV) monohydrate

Conditions
ConditionsYield
In water under anaerobic conditions; water soln. of ligand (1 equiv.) added slowly to aq. soln. of V complex; left to stand for 4 d; crystals collected; elem. anal.;53%
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Chemistry

The Molecular Structure of 1,10-Phenanthroline, hydrochloride (1:1) (CAS NO.3829-86-5):

Empirical Formula: C12H9ClN2
Molecular Weight: 216.6663 
IUPAC: 1,10-phenanthroline hydrochloride
Nominal Mass: 216 Da
Average Mass: 216.6663 Da
Monoisotopic Mass: 216.045426 Da 
Flash Point: 164.8 °C
Enthalpy of Vaporization: 58.73 kJ/mol
Boiling Point: 365.1 °C at 760 mmHg 
Melting Point: 224-225 °C(lit.)
Solubility H2O: 0.1 g/mL, clear
Water Solubility: soluble
BRN: 4007967
Appearance: white to light yellow or slightly purple powder
Vapour Pressure: 3.38E-05 mmHg at 25°C 
InChI
InChI=1/C12H8N2.ClH/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H
Smiles
c12c3ncccc3ccc2cccn1.Cl 
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Heterocyclic Compounds;Analytical Chemistry;Chelating Reagents;Phenanthrolines

Safety Profile

Hazard Codes: ToxicTDangerousN
Risk Statements: 25-50/53 
R25 :Toxic if swallowed
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 45-60-61 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste
S61:Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR UN: 2811 6.1/PG 3
WGK Germany: 3
F 8:Photosensitive
HazardClass: 6.1
PackingGroup :III

Specification

 1,10-Phenanthroline, hydrochloride (1:1)  (CAS NO.3829-86-5) is also called as 1,10-Diazaphenanthrene hydrochloride ; 1,10-Phenanthroline hydrochloride ; EINECS 223-325-1 ; NSC 4265 ; Phenanthroline hydrochloride ; 1,10-Phenanthroline monohydrochloride monohydrate ; 1,10-Phenanthroline, monohydrochloride .