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

2,2',3,3',5,6-HEXACHLOROBIPHENYL
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1. Names and Identifiers
1.1 Name
2,2',3,3',5,6-HEXACHLOROBIPHENYL
1.2 Synonyms
1,1'-Biphenyl, 2,2',3,3',5,6-hexachloro-; 1,2,4,5-tetrachloro-3-(2,3-dichlorophenyl)benzene; 2,2',3,3',5,6-HEXACHLOROBIPHENYL; BZNO 134; PCB NO 134;
1.3 CAS No.
52704-70-8
1.4 CID
40496
1.5 Molecular Formula
C12H4Cl6
1.6 Inchi
InChI=1S/C12H4Cl6/c13-6-3-1-2-5(10(6)16)9-11(17)7(14)4-8(15)12(9)18/h1-4H
1.7 InChkey
RVWLHPJFOKUPNM-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
1.9 Isomers Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
2. Properties
2.1 Solubility
0.91ug/L(25 ºC)
2.2 HenrysLawConstant
4.90e-05 atm-m3/mole
2.3 Water Solubility
0.91ug/L(25 oC)
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

View all
4. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
5. Synthesis Route
52704-70-8Total: 1 Synthesis Route
 
32770-82-4
32770-82-4
 
2401-21-0
2401-21-0 72 Suppliers
 
52704-70-8
52704-70-8 11 Suppliers
6. Precursor and Product
precursor:
2401-21-0
2401-21-0
32770-82-4
32770-82-4
7. Computed Properties
  • Molecular Weight：360.87816g/mol
  • Molecular Formula：C12H4Cl6
  • Compound Is Canonicalized：True
  • XLogP3-AA：359.841466
  • Monoisotopic Mass：357.844416
  • Complexity：272
  • 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：AAADcYBwAAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOgAAQIACBAAQAACBAAQIACAAAAAAAAA==
8.Other Information
Henrys Law Constant
4.90e-05 atm-m3/mole
9. Toltal 10 Suppliers View more
2,2',3,3',5,6-HEXACHLOROBIPHENYL manufacturer
Shanghai Yuanye Bio
China
Tel: Update Time:2019/02/23
inquire
2,2',3,3',5,6-Hexachlorobiphenyl
YORK CHEMICALS LTD
Canada
Tel: Update Time:2019/02/25
inquire
1,2,4,5-tetrachloro-3-(2,3-dichlorophenyl)benzene
Shanghai Wusheng Biotechnology Co., Ltd.
China
Tel: Update Time:2019/04/01
inquire
1,2,4,5-tetrachloro-3-(2,3-dichlorophenyl)benzene
Shanghai Haoang Biological Technology Co., Ltd.
China
Tel: Update Time:2019/04/01
inquire
2,2',3,3',5,6-HEXACHLOROBIPHENYL
TECHLAB SA
Europe
Tel: Update Time:2019/11/25
inquire
10. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. NMR Spectrum
5. Synthesis Route
6. Precursor and Product
7. Computational chemical data
8. Other Information
9. Toltal 10 Suppliers
10. Realated Product Infomation
 
 
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