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PCB 81

PCB 81 structure

CAS No:
70362-50-4
Formula:
C12H6Cl4
Chemical Name:
PCB 81
Synonyms:
1,1′-Biphenyl,3,4,4′,5-tetrachloro-;3,4,4′,5-Tetrachloro-1,1′-biphenyl;3,4,4′,5-Tetrachlorobiphenyl;3,4,5,4′-Tetrachlorobiphenyl;PCB 81;CB 81;TeCB 81;3,4,4′,5-TeCB;Polychlorinated biphenyl-81;T 4CB 81
Categories:
Analytical Chemistry > Food Safety

Description

3,4,4',5-Tetrachlorobiphenyl is a member of biphenyls, a member of monochlorobenzenes, a trichlorobenzene and a tetrachlorobiphenyl.

PCB 81 Basic Attributes

Molecular Weight：

291.99

Exact Mass：

291.99

UNII：

7R8ZU2864J

DSSTox ID：

DTXSID6074209

Characteristics

PSA：

XLogP3：

5.96720

Density：

1.441g/cm3

Melting Point：

106.53°C (estimate)

Boiling Point：

379.7ºC at 760 mmHg

Flash Point：

187.7ºC

Refractive Index：

1.612

Collision Cross Section：

158 Å² [M-Cl+O]-

Safety Information

Precautionary statement(s)：

P260, P273, P314, P391, P501

Hazard Statements：

H373

GHS Classification：

|Warning|H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]|P260, P273, P314, P391, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Biological Half-Life：

48.98 Days

Computed Properties

Molecular Weight:292.0
XLogP3:6.6
Rotatable Bond Count:1
Exact Mass:291.919411
Monoisotopic Mass:289.922361
Heavy Atom Count:16
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes