Benzoic acid, 3,4,6-trichloro-2-hydroxy-
Basic information
- CAS
68427-31-6- Standard SMILES
O=C(O)c1c(Cl)cc(Cl)c(Cl)c1O- InChIKey
HXFHVXQDAWYFMP-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O3
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.914777
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,6-trichloro-2-hydroxy-
- IUPAC
- 3,4,6-trichloro-2-hydroxybenzoic acid
- English name
- 3,4,6-Trichloro-2-hydroxybenzoic acid
- Molecular formula
- C7H3Cl3O3
- Molecular weight
- 241.46
Names & synonyms
Benzoic acid, 3,4,6-trichloro-2-hydroxy-68427-31-63,4,6-Trichlorosalicylic acidDTXSID1071537RefChem:565705DTXCID2045997SCHEMBL1660217HXFHVXQDAWYFMP-UHFFFAOYSA-N3,4,6-trichloro-2-hydroxybenzoicacid3,4,6-Trichloro-2-hydroxybenzoic acid
Database identifiers
- CAS
68427-31-6- PubChem CID
- 110245
- DTXSID
DTXSID1071537- Nikkaji
- J441.160I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 335.5 · 335.5±42.0 °C(Predicted)
- Density
- 1.772 · 1.772±0.06 g/cm3(Predicted)
- pka
- 1.7 · 1.70±0.25(Predicted)
- EPA Substance Registry System
- 3 · Benzoic acid, 3,4,6-trichloro-2-hydroxy- (68427-31-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,4,6-trichloro-2-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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