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PCB 101

PCB 101 structure

CAS No:
37680-73-2
Formula:
C12H5Cl5
Chemical Name:
PCB 101
Synonyms:
1,1′-Biphenyl,2,2′,4,5,5′-pentachloro-;2,2′,4,5,5′-Pentachloro-1,1′-biphenyl;2,5,2′,4′,5′-Pentachlorobiphenyl;2,2′,4,5,5′-Pentachlorobiphenyl;2,4,5,2′,5′-Pentachlorobiphenyl;2,2′,4,5,5′-PCB;2,2′,4′,5,5′-Pentachlorobiphenyl;PCB 101;K 101;CB 101;1,2,4-Trichloro-5-(2,5-dichlorophenyl)benzene
Categories:
Analytical Chemistry > Food Safety

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PCB 101 Basic Attributes

Molecular Weight：

326.43

Exact Mass：

326.43

EC Number：

215-648-1

UNII：

803YVI5BNP

DSSTox ID：

DTXSID8038304

Characteristics

PSA：

XLogP3：

6.38

Density：

1.5±0.1 g/cm3

Melting Point：

77 °C

Boiling Point：

371.0±37.0 °C at 760 mmHg

Flash Point：

4 °C

Refractive Index：

1.620

Water Solubility：

11ug/L(25 ºC)

Storage Conditions：

2-8°C

Vapor Pressure：

2.52e-05 mmHg

Henrys Law Constant：

9.00e-05 atm-m3/mole

Safety Information

Packing level：

Hazard category：

Transport codes：

2315

wgk germany：

hazard class code：

33-50/53-67-65-38-11

safety instructions：

35-60-61-62-16-33-29-9

Marks：

N,Xn,F

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

2.95e+05

Mobility：

1.66e+05 L/kg

Drug Information

Metabolism/Metabolites：

2,2',4,5,5'-pentachlorobiphenyl has known human metabolites that include 2,2',4',5,5'-pentachloro-[1,1'-biphenyl]-4-ol.

Biological Half-Life：

288.40 Days

MeSH Entry Terms：

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

Computed Properties

Molecular Weight:326.4
XLogP3:6.5
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