Encyclopedia / Pharmaceutical Intermediates

2,3,4-TRICHLOROBIPHENYL

CAS：55702-46-0
MW:257.54298
MF：C12H7Cl3

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2,3,4-TRICHLOROBIPHENYL

1.2 Synonyms: 1,1′-Biphenyl, 2,3,4-trichloro-; 2,3,4-CB; 2,3,4-Trichloro-1,1′-biphenyl; 2,3,4-TRICHLOROBIPHENYL; 2,3,4-Trichlorobiphenyl-d5; 234TRICHLOROBIPHENYL(2,3,4-TRICHLOROISOMER); BZNO 21; PCB 21; PCB NO 21; PCB NO.21-2,3,4-Trichlorobiphenyl;

1.3 CAS No.: 55702-46-0

1.4 CID: 41541

1.5 Molecular Formula: C12H7Cl3

1.6 Inchi: InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H

1.7 InChkey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl

1.9 Isomers Smiles: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl

2. Properties

2.1 Solubility: 6.61e-07 M

2.2 Water Solubility: 6.61e-07 M

3. Use and Manufacturing

3.1 Definition: ChEBI: A trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines. 2,3,4-TRICHLOROBIPHENYLSupplier

3.2 Description

ChEBI: A trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines.

2,3,4-trichlorobiphenyl is a trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines. It is a trichlorobiphenyl and a trichlorobenzene.

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4. 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

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5. Synthesis Route

55702-46-0Total: 5 Synthesis Route

33284-53-6 12 Suppliers

55720-44-0 11 Suppliers

55702-46-0 12 Suppliers

15862-07-4 17 Suppliers

54230-22-7 10 Suppliers

55702-46-0 12 Suppliers

15862-07-4 17 Suppliers

35693-92-6 16 Suppliers

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6. Precursor and Product

precursor:

71-43-2

634-67-3

54230-22-7

33284-53-6

product:

92-52-4

2974-92-7

83636-47-9

16605-91-7

33284-50-3

7. Computed Properties

Molecular Weight：257.54298g/mol
Molecular Formula：C₁₂H₇Cl₃
Compound Is Canonicalized：True
XLogP3-AA：255.961333
Monoisotopic Mass：255.961333
Complexity：201
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：15
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：AAADcYBwAAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOhAAAIACBAAQIAABAAQIACAAAAAAAAA==