Basic information
- CAS
23749-65-7- Standard SMILES
Cc1c(Cl)cc(Cl)cc1Cl- InChIKey
RCTKUIOMKBEGTG-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3
- Average molar mass
- 195.5 g/mol
- Monoisotopic mass
- 193.9456832
Names & identifiers
- Preferred name
- 1,3,5-Trichloro-2-methylbenzene
- IUPAC
- 1,3,5-trichloro-2-methylbenzene
- English name
- 1,3,5-trichloro-2-methyl-benzene
- Molecular formula
- C7H5Cl3
- Molecular weight
- 195.47
Names & synonyms
1,3,5-trichloro-2-methylbenzene23749-65-7Benzene, 1,3,5-trichloro-2-methyl-DTXSID00946535RefChem:1052586DTXCID601374818607-266-22,4,6-TRICHLOROTOLUENE2,4,6-TrichlortoluolToluene, 2,4,6-trichloro-1,3,5-Trichloro-2-methylbenzene (ACI); Toluene, 2,4,6-trichloro- (8CI); 2,4,6-Trichlorotoluene; 2,4,6-Trichloro-toluene;1,3,5-TRICHLORO-2-METHYL-BENZENE
Show more names
2,4,6-Trichlor-toluolSCHEMBL98116SCHEMBL98117SCHEMBL901011RCTKUIOMKBEGTG-UHFFFAOYSA-NMSK14256AKOS024437667
Database identifiers
- CAS
23749-65-7- PubChem CID
- 32066
- DTXSID
DTXSID00946535- EC Number
- 607-266-2
- Nikkaji
- J91.323E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 235.1 · 235.1±35.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Hexanes (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Henry's Law Constant
- 6.5 · 6.5×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Chemistry & industry
Applications
Uses1,3,5-trichloro-2-methyl-benzene is derived from 2,4,6-Trichlorobenzoic Acid (T774715), which is a possible degradation intermediate of Polychlorinated Biphenyls (PCBs) in contaminated soil, suggesting the occurrence of microbial transformation processes over time.
Upstream & downstream products
Downstream products
Suppliers15 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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