2,3,4'-TRICHLOROBIPHENYL
- Iupac Name：1,2-dichloro-3-(4-chlorophenyl)benzene
- CAS No.: 38444-85-8
- Molecular Weight：257.54298
- Modify Date.: 2022-11-22 17:35
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
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- 1.3 CAS No.
- 38444-85-8
- 1.4 CID
- 38035
- 1.5 Molecular Formula
- C12H7Cl3 (isomer)
- 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 InChIkey
- 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 Density
- 1.351
- 2.1 Melting point
- 73°C
- 2.1 Boiling point
- 335.6 °C at 760 mmHg
- 2.1 Refractive index
- 1.603
- 2.1 Flash Point
- 230.7 °C
- 2.1 Precise Quality
- 255.96100
- 2.1 PSA
- 0.00000
- 2.1 logP
- 5.31380
- 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
6. Other Information
- 6.0 Henrys Law Constant
- 1.40e-04 atm-m3/mole
- 6.1 Biological Half Life
- 144.54 Days
7. Computational chemical data
- Molecular Weight: 257.54298g/mol
- Molecular Formula: C12H7Cl3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 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==
8. Recommended Suppliers
9. Realated Product Infomation
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