2,2'3,6,6'-PENTACHLOROBIPHENYL

1. Names and Identifiers

1.2 Synonyms: 1,1′-Biphenyl, 2,2′,3,6,6′-pentachloro-; 1,1'-Biphenyl, 2,2',3,6,6'-pentachloro-; 1,2,4-trichloro-3-(2,6-dichlorophenyl)benzene; 2,2',3,6,6'-Pentachloro-1,1'-biphenyl; 2,2′,3,6,6′-Pentachloro-1,1′-biphenyl; 2,2′,3,6,6′-Pentachlorobiphenyl; 2,2'3,6,6'-PENTACHLOROBIPHENYL; PCB 96; PCB NO 96; PCB-96;

1.6 Inchi: InChI=1S/C12H5Cl5/c13-6-2-1-3-7(14)10(6)11-8(15)4-5-9(16)12(11)17/h1-5H

2. MSDS

no data available

no data available

3. Synthesis Route

73575-54-9Total: 8 Synthesis Route

608-31-1 92 Suppliers

73575-54-9 10 Suppliers

19230-28-5 43 Suppliers

73575-54-9 10 Suppliers

4. Precursor and Product

precursor:

88963-39-7

38411-22-2

541-73-1

19230-28-5

608-31-1

15968-05-5

5. Computed Properties

Molecular Weight：326.422g/mol
Molecular Formula：C₁₂H₅Cl₅
Compound Is Canonicalized：True
XLogP3-AA：325.880439
Monoisotopic Mass：323.883389
Complexity：249
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBwAAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOgAAQIACBAAQAACBAAQIACAAAAAAAAA==