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2,3,4'-TRICHLOROBIPHENYL structure

2,3,4'-TRICHLOROBIPHENYL

 
1. Names and Identifiers
1.1 Name
2,3,4'-TRICHLOROBIPHENYL
1.2 Synonyms
1,1′-Biphenyl, 2,3,4′-trichloro-; 1,2-dichloro-3-(4-chlorophenyl)benzene; 2,3,4′-Trichloro-1,1′-biphenyl; 2,3,4′-Trichlorobiphenyl; 2,3,4'-TRICHLOROBIPHENYL; 4,2′,3′-Trichlorobiphenyl; Biphenyl, 2,3,4′-trichloro-; BZNO 22; PCB 22; PCB NO 22;
1.3 CAS No.
38444-85-8
1.4 CID
38035
1.5 Molecular Formula
C12H7Cl3
1.6 Inchi
InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H
1.7 InChkey
ZMHWQAHZKUPENF-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl
1.9 Isomers Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl
2. Properties
2.1 Solubility
141.7ug/L(20 ºC)
2.2 HenrysLawConstant
1.40e-04 atm-m3/mole
2.3 Water Solubility
141.7ug/L(20 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

4. Synthesis Route
38444-85-8Total: 3 Synthesis Route
 
106-47-8
106-47-8 143 Suppliers
 
95-50-1
95-50-1 34 Suppliers
 
38444-85-8
38444-85-8 12 Suppliers
 
637-87-6
637-87-6 152 Suppliers
 
2401-21-0
2401-21-0 72 Suppliers
 
38444-85-8
38444-85-8 12 Suppliers
5. Precursor and Product
6. Computed Properties
  • Molecular Weight:257.54298g/mol
  • Molecular Formula:C12H7Cl3
  • Compound Is Canonicalized:True
  • XLogP3-AA:255.961333
  • Monoisotopic Mass:255.961333
  • Complexity:199
  • 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:AAADcYBwAAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOhAAAIAABAAQIAABAAAIACAAAAAAAAA==
7.Other Information
Henrys Law Constant
1.40e-04 atm-m3/mole
Biological Half Life
144.54 Days
8. Toltal 11 Suppliers View more
Tel: Update Time:2019/02/23
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Tel: Update Time:2019/04/01
Tel: Update Time:2019/04/01
9. Realated Product Infomation
 
 
 
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