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PCB 85

PCB 85 structure

CAS No:
65510-45-4
Formula:
C12H5Cl5
Chemical Name:
PCB 85
Synonyms:
1,1′-Biphenyl,2,2′,3,4,4′-pentachloro-;2,2′,3,4,4′-Pentachloro-1,1′-biphenyl;2,2′,3,4,4′-Pentachlorobiphenyl;2,3,4,2′,4′-Pentachlorobiphenyl;PCB 85
Categories:
Analytical Chemistry > Food Safety

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PCB 85 Basic Attributes

Molecular Weight：

326.43

Exact Mass：

326.43

UNII：

978Z792J4S

DSSTox ID：

DTXSID9073599

HScode：

2903999090

Characteristics

PSA：

XLogP3：

6.62060

Density：

1.522g/cm3

Melting Point：

95.86°C (estimate)

Boiling Point：

373.8ºC at 760 mmHg

Flash Point：

179.9ºC

Refractive Index：

1.619

Water Solubility：

21.91ug/L(20 ºC)

Storage Conditions：

room temp

Henrys Law Constant：

6.60e-05 atm-m3/mole

Safety Information

Transport codes：

UN 3432 9 / PGII

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.

Computed Properties

Molecular Weight:326.4
XLogP3:6.6
Rotatable Bond Count:1
Exact Mass:325.880439
Monoisotopic Mass:323.883389
Heavy Atom Count:17
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes