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PCB 99

PCB 99 structure

CAS No:
38380-01-7
Formula:
C12H5Cl5
Chemical Name:
PCB 99
Synonyms:
1,1′-Biphenyl,2,2′,4,4′,5-pentachloro-;2,2′,4,4′,5-Pentachloro-1,1′-biphenyl;2,4,2′,4′,5′-Pentachlorobiphenyl;2,2′,4,4′,5-Pentachlorobiphenyl;2,4,5,2′,4′-Pentachlorobiphenyl;PCB 99;CB 99
Categories:
Analytical Chemistry > Food Safety

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PCB 99 Basic Attributes

Molecular Weight：

326.4331

Exact Mass：

326.43

UNII：

3PY435PFIO

DSSTox ID：

DTXSID1073496

HScode：

2903999090

Characteristics

PSA：

XLogP3：

6.62060

Density：

1.522g/cm3

Melting Point：

95.86°C (estimate)

Boiling Point：

369.9ºC at 760 mmHg

Flash Point：

177.1ºC

Refractive Index：

1.619

Water Solubility：

22.19ug/L(20 ºC)

Vapor Pressure：

2.20e-05 mmHg

Henrys Law Constant：

7.80e-05 atm-m3/mole

Drug Information

Biological Half-Life：

537.03 Days

MeSH Entry Terms：

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

Computed Properties

Molecular Weight:326.4
XLogP3:7.2
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