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PCB 31

PCB 31 structure

CAS No:
16606-02-3
Formula:
C12H7Cl3
Chemical Name:
PCB 31
Synonyms:
1,1′-Biphenyl,2,4′,5-trichloro-;Biphenyl,2,4′,5-trichloro-;2,4′,5-Trichloro-1,1′-biphenyl;2,4′,5-Trichlorobiphenyl;4,2′,5′-Trichlorobiphenyl;Delor 103;PCB 31;63439-93-0
Categories:
Analytical Chemistry > Food Safety

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PCB 31 Basic Attributes

Molecular Weight：

257.54

Exact Mass：

257.54

UNII：

1ZNA5F571U

DSSTox ID：

DTXSID9073410

HScode：

2903999090

Characteristics

PSA：

XLogP3：

5.52

Density：

1.3510 (rough estimate)

Melting Point：

67 °C

Boiling Point：

334.36°C (rough estimate)

Flash Point：

227.3±19.3 °C

Refractive Index：

1.6040 (rough estimate)

Water Solubility：

5.55e-07 M

Vapor Pressure：

4.00e-04 mmHg

Toxicity：

TDLo ipr-rat: 150 mg/kg/3D-I TXAPA9 33,94,75

OH：

1.20e-12 cm3/molecule*sec

Henrys Law Constant：

1.90e-04 atm-m3/mole

Safety Information

Transport codes：

UN34329/PG2

hazard class code：

33-50/53

safety instructions：

35-60-61

RTECS Number：

DV8810000

Marks：

N,Xn

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

Toxicity

Bioconcentration：

1.35e+04

Drug Information

Biological Half-Life：

81.28 Days

MeSH Entry Terms：

2,4',5-trichlorobiphenyl

Computed Properties

Molecular Weight:257.5
XLogP3:5.8
Rotatable Bond Count:1
Exact Mass:255.961333
Monoisotopic Mass:255.961333
Heavy Atom Count:15
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes