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2,2',3,4,5,6'-HEXACHLOROBIPHENYL structure

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

 
1. Names and Identifiers
1.1 Name
2,2',3,4,5,6'-HEXACHLOROBIPHENYL
1.2 Synonyms
1,1'-BIPHENYL,2,2',3,4,5,6'-H; 1,2,3,4-tetrachloro-5-(2,6-dichlorophenyl)benzene; 2,2',3,4,5,6'-HEXACHLOROBIPHENYL; 223456HEXACHLOROBIPHENYL(2,2',3,4,5,6'-HEXACHLOROISOMERICFORM); BZNO 143; PCB 143; PCB NO 143;
1.3 CAS No.
68194-15-0
1.4 CID
63076
1.5 Molecular Formula
C12H4Cl6
1.6 Inchi
InChI=1S/C12H4Cl6/c13-6-2-1-3-7(14)9(6)5-4-8(15)11(17)12(18)10(5)16/h1-4H
1.7 InChkey
UQPQKLGBEKEZBV-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
1.9 Isomers Smiles
C1=CC(=C(C(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl
2. Properties
2.1 Water Solubility
7.41e-09 M
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. NMR Spectrum
Mass spectrum (electron ionization)  
5. Synthesis Route
68194-15-0Total: 1 Synthesis Route
 
19230-28-5
19230-28-5 43 Suppliers
 
 
68194-15-0
68194-15-0 12 Suppliers
6. Precursor and Product
precursor:
7. Computed Properties
  • Molecular Weight:360.864g/mol
  • Molecular Formula:C12H4Cl6
  • Compound Is Canonicalized:True
  • XLogP3-AA:359.841466
  • Monoisotopic Mass:357.844416
  • Complexity:276
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count::18
  • 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:AAADcYBwAAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOhAAQIACBAAQIACBAAQIACAAAAAAAAA==
8.Other Information
Henrys Law Constant
3.90e-05 atm-m3/mole
9. Toltal 11 Suppliers View more
Tel: Update Time:2019/02/23
Tel: Update Time:2019/02/25
Tel: Update Time:2019/04/01
Tel: Update Time:2019/04/01
Tel: Update Time:2019/11/25
10. Realated Product Infomation
 
 
 
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