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Pharmaceutical Intermediates
2,2',3,4,5,6'-HEXACHLOROBIPHENYL
CAS:
68194-15-0
MW:
360.864
MF:
C12H4Cl6
 
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Names and ldentifier
Properties
Msds
NMR Spectrum
Other Information
Computational chemical data
Realated Product Infomation
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
View all
4. NMR Spectrum
Mass spectrum (electron ionization)
5. Synthesis Route
68194-15-0
Total: 1 Synthesis Route
19230-28-5
43 Suppliers
38411-21-1
68194-15-0
12 Suppliers
6. Precursor and Product
precursor:
38411-21-1
19230-28-5
7. Computed Properties
Molecular Weight:
360.864g/mol
Molecular Formula:
C
12
H
4
Cl
6
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
Shanghai Yuanye Bio
Tel:
Update Time:
2019/02/23
inquire
YORK CHEMICALS LTD
Tel:
Update Time:
2019/02/25
inquire
Shanghai Wusheng Biotechnology Co., Ltd.
Tel:
Update Time:
2019/04/01
inquire
Shanghai Haoang Biological Technology Co., Ltd.
Tel:
Update Time:
2019/04/01
inquire
Dr. Ehrenstorfer GmbH
Tel:
Update Time:
2019/11/25
inquire
10. Realated Product Infomation
2,2',3,4,5,6-HEXACHLOROBIPHENYL
cas:41411-61-4
2,3,3',4,5,5'-HEXACHLOROBIPHENYL
cas:39635-35-3
2,3,3',4,5,6-HEXACHLOROBIPHENYL
cas:41411-62-5
2,3,4,4',5,6-HEXACHLOROBIPHENYL
cas:41411-63-6
2,2',3,4,5,5'-HEXACHLOROBIPHENYL
cas:51908-16-8
2,2',3,4,5,5'-HEXACHLOROBIPHENYL
cas:52712-04-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Water Solubility
3.
Msds
4.
NMR Spectrum
5.
Synthesis Route
6.
Precursor and Product
7.
Computational chemical data
8.
Other Information
9.
Toltal 11 Suppliers
10.
Realated Product Infomation
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