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31508-00-6

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Basic Information
CAS No.: 31508-00-6
Name: 2,3',4,4',5-PENTACHLOROBIPHENYL
Article Data: 1
Molecular Structure:
Molecular Structure of 31508-00-6 (2,3',4,4',5-PENTACHLOROBIPHENYL)
Formula: C12H5 Cl5
Molecular Weight: 326.437
Synonyms: Biphenyl,2,3',4,4',5-pentachloro- (8CI); 2,3',4,4',5-Pentachloro-1,1'-biphenyl;2,3',4,4',5-Pentachlorobiphenyl; 2,4,5,3',4'-Pentachlorobiphenyl;3,4,2',4',5'-Pentachlorobiphenyl; CB 118; PCB 118
Density: 1.522g/cm3
Melting Point: 107°C
Boiling Point: 388.2°Cat760mmHg
Flash Point: 190.6°C
Solubility: 13.44ug/L(20 oC)
Hazard Symbols:
Risk Codes: 33-50/53
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 0.00000
LogP: 6.62060
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Chemistry

Molecular Structure of 2,3',4,4',5-Pentachlorobiphenyl (CAS NO.31508-00-6):

EINECS: 215-648-1
IUPAC Name: 1,2,4-Trichloro-5-(3,4-dichlorophenyl)benzene
Molecular Formula: C12H5Cl5
Molecular Weight: 326.433100 g/mol
XLogP3: 7.1
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
InChIKey: IUTPYMGCWINGEY-UHFFFAOYSA-N
Index of Refraction: 1.619
Molar Refractivity: 75.31 cm3
Molar Volume: 214.4 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.522 g/cm3
Flash Point: 190.6 °C
Enthalpy of Vaporization: 61.25 kJ/mol
Boiling Point: 388.2 °C at 760 mmHg
Vapour Pressure: 6.96E-06 mmHg at 25 °C
Water Solubility: 0.007126 mg/L at 25 °C
BRN: 2379471

Safety Profile

Safety Information of 2,3',4,4',5-Pentachlorobiphenyl (CAS NO.31508-00-6):
Hazard Codes: N Dangerous
Risk Statements: 33-50/53
R33:Danger of cumulative effects
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 35-60-61
S35:This material and its container must be disposed of in a safe way
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 3432 9/PG 2
RTECS: TQ1350000
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of Cl−.

Specification

  2,3',4,4',5-Pentachlorobiphenyl with CAS Registry Number of 31508-00-6 is also known as  3,4,2',4',5'-Pentachlorobiphenyl ; Biphenyl, 2,3',4,4',5-pentachloro- ; PCB 118 ; 1,1'-Biphenyl, 2,3',4,4',5-pentachloro- .