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3-Hydroxy-2,5,2',5'-Tetrachlorobiphenyl
CAS:
51274-67-0
MW:
307.98744
MF:
C12H6Cl4O
 
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Names and ldentifier
Msds
Other Information
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
3-Hydroxy-2,5,2',5'-Tetrachlorobiphenyl
1.2 Synonyms
(1,1'-Biphenyl)-3-ol, 2,2',5,5'-tetrachloro-; (1,1'-Biphenyl)-3-ol,2,2',5,5'-tetrachloro; [1,1′-Biphenyl]-3-ol, 2,2′,5,5′-tetrachloro-; 2,2',5,5'-Tetrachloro-(1,1'-biphenyl)-3-ol; 2,2',5,5'-tetrachlorobiphenyl-3-ol; 2,2′,5,5′-Tetrachloro[1,1′-biphenyl]-3-ol; 2,5,2',5'-Tetrachloro-3-hydroxybiphenyl; 2,5-Dichloro-3-(2,5-dichlorophenyl)phenol; 3-Htcbp; 3-Hydroxy-2,2',5,5'-tetrachlorobiphenyl; 3-Hydroxy-2,2′,5,5′-tetrachlorobiphenyl; 3-Hydroxy-2,5,2',5'-tetrachlorobiphenyl; 3-Hydroxy-2,5,2′,5′-tetrachlorobiphenyl; 4RPD28X1JO; CTK4J3949; DTXSID50199271; Q27260405; UNII-4RPD28X1JO;
View all
1.3 CAS No.
51274-67-0
1.4 CID
119101
1.5 Molecular Formula
C12H6Cl4O
1.6 Inchi
InChI=1S/C12H6Cl4O/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(17)12(9)16/h1-5,17H
1.7 InChkey
SPZLUXZFGWFMRN-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)O)Cl)Cl
1.9 Isomers Smiles
C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)O)Cl)Cl
2. 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
3. Synthesis Route
51274-67-0
Total: 8 Synthesis Route
95-82-9
121 Suppliers
51274-67-0
29682-41-5
50 Suppliers
51274-67-0
View all
4. Precursor and Product
precursor:
68099-35-4
68099-15-0
78185-84-9
68099-31-0
68099-13-8
68099-34-3
95-82-9
29682-41-5
5. Computed Properties
Molecular Weight:
307.98744g/mol
Molecular Formula:
C
12
H
6
Cl
4
O
Compound Is Canonicalized:
True
XLogP3-AA:
307.914325
Monoisotopic Mass:
305.917276
Complexity:
263
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
20.2
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:
AAADcYBwIAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAADAaAmCAwBoAAAgCAAiBCAAACAAAgJUAIiAAGC4gIJiKDExKAcAAkwBEImAeAwPAOgAARIQABCAAAACJCAAIQAAAAAAAAAA==
6.Other Information
Mesh Entry Terms
3-HTCBP
7. Realated Product Infomation
4-HYDROXY-2',3,5,5'-TETRACHLOROBIPHENYL
cas:245084-57-5
4-HYDROXY-2,2',4',6'-TETRACHLOROBIPHENYL
cas:150304-08-8
2,3,4,5-TETRACHLOROBIPHENYL
cas:33284-53-6
2,3,4,4'-TETRACHLOROBIPHENYL
cas:33025-41-1
2,3,5,6-TETRACHLOROBIPHENYL
cas:33284-54-7
2,3,4,6-TETRACHLOROBIPHENYL
cas:54230-22-7
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.
Msds
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Other Information
7.
Realated Product Infomation
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