2,2',3,4',5',6-Hexachlorobiphenyl

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Catalog Number
ACM38380040
Product Name
2,2',3,4',5',6-Hexachlorobiphenyl
Structure
Structure
CAS
38380-04-0
Category
Heterocyclic Organic Compound
Synonyms
PCB No 149, PCB 149, PCB-149, 34105_RIEDEL, 34105_FLUKA, CB149, CID38016, 2,2,3,4,5,6-Hexachlorobiphenyl, CB 149, 2,2,3,4,5,6-Hexachloro-1,1-biphenyl, 1,1-Biphenyl, 2,2,3,4,5,6-hexachloro-, 2,2,3,4,5,6-HEXACHLOROBIPHENYL, LS-44403, C120129, 38380-04-0
IUPAC Name
1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene
Molecular Weight
360.9
Molecular Formula
C12H4Cl6
Canonical SMILES
C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI Key
LKHLFUVHHXCNJH-UHFFFAOYSA-N
Boiling Point
383.5ºC at 760 mmHg
Flash Point
183.8ºC
Density
1.593 g/cm³
Complexity
286
Defined Atom Stereocenter Count
0
Exact Mass
359.8414
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
359.8414
Rotatable Bond Count
1
Safety Description
S35
Topological Polar Surface Area
0 Ų
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