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| CAS No.: | 35065-27-1 |
|---|---|
| Name: | 2,2',4,4',5,5'-HEXACHLOROBIPHENYL |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H4 Cl6 |
| Molecular Weight: | 360.882 |
| 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 |
| EINECS: | 208-759-1 |
| Density: | 1.593 g/cm3 |
| Melting Point: | 103-104ºC |
| Boiling Point: | 396.2 °C at 760 mmHg |
| Flash Point: | 193.2 °C |
| Solubility: | 0.8625ug/L(25 oC) |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F Xi N Xn
|
| Risk Codes: | 11-36/37/38-50/53-33-67-65-38 |
| 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. |
| PSA: | 0.00000 |
| LogP: | 7.27400 |
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Chemistry
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
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. |
Safety Profile
Safety Information of 2,2',4,4',5,5'-Hexachlorobiphenyl (CAS NO.35065-27-1):
Hazard Codes: F 
, Xi,Xn 
, N 
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.
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.