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PCB 114

PCB 114 structure

CAS No:
74472-37-0
Formula:
C12H5Cl5
Chemical Name:
PCB 114
Synonyms:
1,1′-Biphenyl,2,3,4,4′,5-pentachloro-;2,3,4,4′,5-Pentachloro-1,1′-biphenyl;2,3,4,4′,5-Pentachlorobiphenyl;4′-Chloro-2,3,4,5-tetrachlorobiphenyl;PCB 114;2,3,4,5,4′-Pentachlorobiphenyl;CB 114
Categories:
Analytical Chemistry > Food Safety

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Description

2,3,4,4',5-Pentachlorobiphenyl is a tetrachlorobenzene, a member of monochlorobenzenes and a pentachlorobiphenyl.

PCB 114 Basic Attributes

Molecular Weight：

326.43

Exact Mass：

326.43

UNII：

86S23H0DSX

DSSTox ID：

DTXSID9074226

Characteristics

PSA：

XLogP3：

6.62060

Density：

1.522 g/cm3

Melting Point：

98 °C

Boiling Point：

388.4ºC at 760 mmHg

Flash Point：

190.7ºC

Refractive Index：

1.619

Water Solubility：

15.98ug/L(20 ºC)

Storage Conditions：

room temp

Collision Cross Section：

161.6 Å² [M-Cl+O]-

Safety Information

Transport codes：

UN 3432 9 / PGII

wgk germany：

hazard class code：

33-50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273-P391-P501

Hazard Statements：

H373-H410

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：

229.09 Days

MeSH Entry Terms：

2,3,4,4',5-pentachlorobiphenyl

Computed Properties

Molecular Weight:326.4
XLogP3:7
Rotatable Bond Count:1
Exact Mass:325.880439
Monoisotopic Mass:323.883389
Heavy Atom Count:17
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes