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PCB 126

PCB 126 structure

CAS No:
57465-28-8
Formula:
C12H5Cl5
Chemical Name:
PCB 126
Synonyms:
1,1′-Biphenyl,3,3′,4,4′,5-pentachloro-;3,3′,4,4′,5-Pentachloro-1,1′-biphenyl;3,3′,4,4′,5-Pentachlorobiphenyl;3,4,5,3′,4′-Pentachlorobiphenyl;3,4,3′,4′,5′-Pentachlorobiphenyl;PCB 126;CB 126;3,3′,4,4′,5′-Pentachlorobiphenyl;PnCP 176;Polychlorinated biphenyl-126;P 5CB 126
Categories:
Analytical Chemistry > Food Safety

Description

ChEBI: A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.

3,3',4,4',5-pentachlorobiphenyl is a pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. It is a pentachlorobiphenyl and a trichlorobenzene.

PCB 126 Basic Attributes

Molecular Weight：

326.43

Exact Mass：

326.43

UNII：

TSH69IA9XF

DSSTox ID：

DTXSID3032179

Characteristics

PSA：

XLogP3：

6.45

Density：

1.5±0.1 g/cm3

Melting Point：

158.5 °C

Boiling Point：

409.2±40.0 °C at 760 mmHg

Flash Point：

206.1±24.7 °C

Refractive Index：

1.620

Collision Cross Section：

163.9 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 49 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds. (See all compounds classified as Estrogen Antagonists.)

Biological Half-Life：

251.19 Days

MeSH Entry Terms：

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

Computed Properties

Molecular Weight:326.4
XLogP3:7.3
Rotatable Bond Count:1
Exact Mass:325.880439
Monoisotopic Mass:323.883389
Heavy Atom Count:17
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes