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5144-89-8

Basic Information
CAS No.: 5144-89-8
Name: 1,10-Phenanthroline hydrate
Molecular Structure:
Molecular Structure of 5144-89-8 (1,10-Phenanthroline hydrate)
Formula: C12H8N2.H2O
Molecular Weight: 198.22
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
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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 .