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PCB 189

PCB 189 structure

CAS No:
39635-31-9
Formula:
C12H3Cl7
Chemical Name:
PCB 189
Synonyms:
1,1′-Biphenyl,2,3,3′,4,4′,5,5′-heptachloro-;2,3,3′,4,4′,5,5′-Heptachloro-1,1′-biphenyl;3,4,5,2′,3′,4′,5′-Heptachlorobiphenyl;2,3,3′,4,4′,5,5′-Heptachlorobiphenyl;2,3,4,5,3′,4′,5′-Heptachlorobiphenyl;PCB 189;CB 189;2,3,3′,4,4′,5,5′-HpCB
Categories:
Analytical Chemistry > Food Safety

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Description

2,3,3',4,4',5,5'-Heptachlorobiphenyl is a trichlorobenzene, a heptachlorobiphenyl and a tetrachlorobenzene.

PCB 189 Basic Attributes

Molecular Weight：

395.32

Exact Mass：

395.32

UNII：

BN8554XK23

DSSTox ID：

DTXSID4074144

HScode：

2903999090

Characteristics

PSA：

XLogP3：

7.20

Density：

1.7±0.1 g/cm3

Melting Point：

170°C

Boiling Point：

443.9±40.0 °C at 760 mmHg

Flash Point：

225.4±24.7 °C

Refractive Index：

1.633

Water Solubility：

1.90e-09 M

Collision Cross Section：

173.3 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：

208.93 Days

MeSH Entry Terms：

2,3,4,5,3',4',5'-heptachlorobiphenyl

Computed Properties

Molecular Weight:395.3
XLogP3:8.1
Rotatable Bond Count:1
Exact Mass:393.802494
Monoisotopic Mass:391.805444
Heavy Atom Count:19
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes