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2,2',4,4',5,5'-Hexachlorobiphenyl

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2,2',4,4',5,5'-Hexachlorobiphenyl

EINECS 208-759-1
CAS No. 35065-27-1 Density 1.593 g/cm3
PSA 0.00000 LogP 7.27400
Solubility 0.8625ug/L(25 oC) Melting Point 103-104ºC
Formula C12H4 Cl6 Boiling Point 396.2 °C at 760 mmHg
Molecular Weight 360.882 Flash Point 193.2 °C
Transport Information N/A Appearance colourless liquid
Safety An experimental teratogen. Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, AROMATIC. Risk Codes 11-36/37/38-50/53-33-67-65-38
Molecular Structure Molecular Structure of 35065-27-1 (2,2',4,4',5,5'-HEXACHLOROBIPHENYL) Hazard Symbols FlammableFIrritantXiDangerousNHarmfulXn
Synonyms

Biphenyl,2,2',4,4',5,5'-hexachloro- (6CI); 2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl;2,2',4,4',5,5'-Hexachlorobiphenyl; 2,4,5,2',4',5'-Hexachlorobiphenyl; CB 153; K153; PCB 153

Article Data 12

2,2',4,4',5,5'-Hexachlorobiphenyl Chemical Properties

Molecular Structure of 2,2',4,4',5,5'-Hexachlorobiphenyl (CAS NO.35065-27-1):

IUPAC Name: 1,2,4-Trichloro-5-(2,4,5-trichlorophenyl)benzene 
Molecular Formula: C12H4Cl6
Molecular Weight: 360.878160 g/mol
XLogP3: 7.2
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
InChI: InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
InChIKey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
Index of Refraction: 1.626
Molar Refractivity: 80.21 cm3
Molar Volume: 226.4 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.593 g/cm3
Flash Point: 193.2 °C
Enthalpy of Vaporization: 62.12 kJ/mol
Boiling Point: 396.2 °C at 760 mmHg
Vapour Pressure: 3.98E-06 mmHg at 25 °C
Water Solubility: 0.001281 mg/L at 25 °C
Storage Temp.: 2-8 °C

2,2',4,4',5,5'-Hexachlorobiphenyl Toxicity Data With Reference

1.    

dnd-mus-orl 36,400 µg/kg/5D

    CBINA8    Chemico-Biological Interactions. 27 (1979),99.
2.    

oms-mus-orl 36,400 µg/kg/5D

    CBINA8    Chemico-Biological Interactions. 27 (1979),99.

2,2',4,4',5,5'-Hexachlorobiphenyl Safety Profile

Safety Information of 2,2',4,4',5,5'-Hexachlorobiphenyl (CAS NO.35065-27-1):
Hazard Codes: F Flammable, Xi,Xn Irritant, N Dangerous
Risk Statements: 11-36/37/38-50/53-33-67-65-38
Safety Statements: 16-26-33-36-61-60-35-62
RIDADR: 2315
HazardClass: 9
PackingGroup: II
An experimental teratogen. Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl. See also CHLORINATED HYDROCARBONS, AROMATIC.

2,2',4,4',5,5'-Hexachlorobiphenyl Specification

  2,2',4,4',5,5'-Hexachlorobiphenyl with CAS Registry Number of 35065-27-1 is also known as 2,4,5,2',4',5'-Hexachlorobiphenyl ; 1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro- ; 2,2',4,4',5,5'-Hexachloro-1,1'biphenyl ; 2,2',4,4',5,5'-Hexachlorobiphenyl ; 2,2',4,4'5,5'-Hexachlorobiphenyl ; 2,4,5,2',4',5'-Hexachlorobiphenyl ; Biphenyl, 2,2',4,4',5,5'-hexachloro- ; CB-153 ; CCRIS 9204 ; HCBP ; HSDB 3946 ; K 153 ; PCB 153 ; 2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl (9CI) . It is used as a standard in analytical test.

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