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Basic Information
CAS No.: 5144-89-8
Name: 1,10-Phenanthroline monohydrate
Molecular Structure:
Molecular Structure of 5144-89-8 (1,10-Phenanthroline monohydrate)
Formula: C12H8N2.H2O
Molecular Weight: 198.224
Synonyms: 4,5-Phenanthroline monohydrate;1,10-Phenanthroline Monohydrate;o-Phenanthroline monohydrate;1,10-Phenanthroline 1-hydrate;1,10-Phenanthroline GR monohydrate;1,10-Phenanthroline AR;
EINECS: 200-629-2
Density: 1.10
Melting Point: 100-104 °C(lit.)
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 164.8 °C
Solubility: <0.01 g/100 mL at 21 °C
Appearance: white crystals or powder
Hazard Symbols: ToxicT, DangerousN
Risk Codes: 25-50/53
Safety: 45-60-61
Transport Information: UN 2811
PSA: 35.01000
LogP: 2.71870
Synthetic route
6156-78-1

manganese (II) acetate tetrahydrate

5144-89-8

1,10-phenanthroline hydrate

{Mn3(O2CCH3)6(1,10-phenanthroline)2}

Conditions
ConditionsYield
In N,N-dimethyl-formamide stirred for 10 min; filtered, washed with DMF, acetone and diethyl ether, dried in vac.; elem. anal.;99%

tetrakis(acetonitrile)copper(I)tetrafluoroborate

5144-89-8

1,10-phenanthroline hydrate

1663-45-2

1,2-bis-(diphenylphosphino)ethane

498584-34-2

(1,10-phenanthroline)(1,2-bis(diphenylphosphino)ethane)copper(I) tetrafluoroborate

Conditions
ConditionsYield
In dichloromethane (N2); Cu complex was reacted with P ligand in CH2Cl2; phenanthroline wasadded after dissolution; mixt. was stirred for 1 h; solvent removed (vac.); Et2O added; pptd.; washed (Et2O);99%
7647-01-0

hydrogenchloride

sodium tetrachloropalladate(II)

5144-89-8

1,10-phenanthroline hydrate

14783-10-9

[palladium(II)dichloride(1,10-phenanthroline)]

Conditions
ConditionsYield
In water stirring Na2PdCl4 with 1 equiv. ligand and excess HCl (80°C, 30 min); standing at room temp. for several h, collection (filtration), washing (water, MeOH); elem. anal.;99%
Conditions
ConditionsYield
In acetonitrile (N2); mixt. of Cu(NO3)2 and Cu in CH3CN was stirred for 2 h; filtered under N2; P ligand and phenanthroline were subsequently added to filtrate;soln. was stirred for 15 min; solvent removed (vac.); extd. (CH2Cl2); CH2Cl2 removed (vac.); Et2O added; washed (Et2O);99%
14057-91-1

tetrakis(acetonitrile)copper(I) perchlorate

5144-89-8

1,10-phenanthroline hydrate

1663-45-2

1,2-bis-(diphenylphosphino)ethane

498584-33-1

[Cu(1,2-bis(diphenylphosphino)ethane)(1,10-phenanthroline)]ClO4

Conditions
ConditionsYield
In dichloromethane (N2); Cu complex was reacted with P ligand in CH2Cl2; phenanthroline wasadded after dissolution; mixt. was stirred for 1 h; solvent removed (vac.); Et2O added; pptd.; washed (Et2O);99%
5144-89-8

1,10-phenanthroline hydrate

65115-91-5

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

Conditions
ConditionsYield
With industrial bleach (pH 8.2-8.3 with conc. HCl); tetra(n-butyl)ammonium hydrogensulfate In chloroform; water98%
6046-93-1

copper(II) acetate monohydrate

5144-89-8

1,10-phenanthroline hydrate

(1,10-Phen)Cu(OAc)2

Conditions
ConditionsYield
In ethanol addn. of a soln. of 1,10-phenanthroline*H2O in ethanol to a filtered soln. of Cu(OAc)2*H2O in ethanol; stirring the soln. for 1 h, evapn. of the solvent, washing the residue with benzene and drying in vacuo, elem. anal.;98%

nickel(II) chloride hexahydrate

dicesium dodecachloro-closo-dodecaborate

5144-89-8

1,10-phenanthroline hydrate

[nickel(II)(1,10-phenanthroline)3]B12Cl12

Conditions
ConditionsYield
In ethanol; water addn. of a soln. of organic compound in boiling ethanol to a soln. of Ni-salt and B-compound in water with stirring; filtn., washing (warm water, hot ethanol, absolute ether), drying over P2O5, elem. anal.;98%

manganese(II) chloride tetrahydrate

caesium [3,3'-commo-bis(η5-nonahydro-1,2-dicarba-3-nickel-closo-decarborate)]

5144-89-8

1,10-phenanthroline hydrate

[Mn(II)(1,10-phenantroline)3][bis(η5-1,2-B9C2H11)nickeliate(III)]2

Conditions
ConditionsYield
With CH3COOH; CH3COONa; Na2SO3 In hydrogenchloride; water soln. of MnCl2*4H2O in acetate buffer (pH 4.56) mixed with phen*H2O soln. in aq. HCl (H2O:HCl=1:4), Na2SO3 added, heated at 70°C, hot soln. Cs-Ni-complex in H2O added, stored for 12 h; ppt. filtered off, washed with H2O and C6H6, dried under vac. at 70°C; elem. anal.;98%

manganese(II) chloride tetrahydrate

cesium 1,2;1',2'-trans-bis[nonahydro-closo-decaborate]

5144-89-8

1,10-phenanthroline hydrate

[tris(1,10-phenanthroline)manganese(II)] 1,2;1',2'-trans-bis[nonahydro-closo-decaborate]

Conditions
ConditionsYield
With acetate buffer In water Mn salt dissolved in acetate buffer (pH 4.56); 1,10-phenanthroline monohydrate dissolved with stirring in acetate buffer soln.; solns. combined with stirring; soln. heated to 70°C; hot soln. of Cs2B20H18 in H2O added with stirring; ppt. formed; suspn. allowed to coagulate for 12 h; ppt. filtered off on glass frit; washed (H2O); dried (vac., 70°C);98%
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Chemistry

Product Name: 1,10-Phenanthroline hydrate (CAS NO.5144-89-8)

Molecular Formula: C12H8N2.H2O
Molecular Weight: 198.22g/mol
Mol File: 5144-89-8.mol
Appearance: white crystals or powder
Melting Point: 100-104 °C(lit.)
Boiling point: 365.1 °C at 760 mmHg
Storage Temperature: Store at RT.
Flash Point: 164.8 °C
Water Solubility:  <0.01 g/100 mL at 21 ºC
Stability: Stable. Incompatible with iron, other heavy metals, strong oxidizing agents, strong acids.
Enthalpy of Vaporization: 58.73 kJ/mol
Vapour Pressure: 3.38E-05 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 1,10-Phenanthroline hydrate (CAS NO.5144-89-8):
  IUPAC Name: 1,10-phenanthroline hydrate
  Canonical SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O
  InChI: InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2 
  InChIKey: PPQJCISYYXZCAE-UHFFFAOYSA-N
Product Categories: Miscellaneous; Analytical Chemistry; Chelating Reagents; Environmentally-friendly Oxidation; Ligands (Environmentally-friendly Oxidation); Phenanthrolines; Synthetic Organic Chemistry

Uses

Used as a bidentate ligand in coordination chemistry.

Safety Profile

Safety Information of 1,10-Phenanthroline hydrate (CAS NO.5144-89-8):
Hazard Codes: TToxic,NDangerous
Risk Statements: 25-50/53 
R20:Harmful by inhalation. 
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
RTECS: SF8437000
HazardClass: 6.1
PackingGroup: III
HS Code: 29339990

Specification

 1,10-Phenanthroline hydrate , its CAS NO. is 5144-89-8, the synonyms are  4,5-Phenanthroline monohydrate ;  AI3-22011 ; o-Phenanthroline monohydrate .