Basic information
- CAS
608-94-6- Standard SMILES
Oc1cc(Cl)c(O)c(Cl)c1Cl- InChIKey
ZIIRLFNUZROIBX-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O2
- Average molar mass
- 213.4 g/mol
- Monoisotopic mass
- 211.919862
Overview
2,3,5-trichlorobenzene-1,4-diol is a member of the class of chlorohydroquinones that is hydroquinone in which three of the four hydrogens attached to the benzene ring have been replaced by chlorines. It is a conjugate acid of a 2,3,6-trichloro-4-hydroxyphenolate.
Names & identifiers
- Preferred name
- 2,3,5-Trichloro-1,4-benzenediol
- IUPAC
- 2,3,5-trichlorobenzene-1,4-diol
- English name
- 2,3,6-Trichlorohydroquinone
- Molecular formula
- C6H3Cl3O2
- Molecular weight
- 213.45
Names & synonyms
608-94-61,4-Benzenediol, 2,3,5-trichloro-2,3,5-Trichloro-1,4-benzenediolDTXSID9073208RefChem:1059238DTXCID4042886trichlorohydroquinone2,3,5-trichlorobenzene-1,4-diolTrCH2,3,6-Trichlorohydroquinone2,3,6-Trichlorohydroquinone (TrCH)Hydroquinone, trichloro-
Show more names
2,3,5-Trichlorohydroquinonetrichloro-hydroquinoneSCHEMBL706062,3,5-trichloro-p-hydroquinone2,3,6-trichloro-p-hydroquinoneCHEBI:28263NS00132816C07099
Database identifiers
- CAS
608-94-6- PubChem CID
- 69103
- DTXSID
DTXSID9073208- ChEBI
CHEBI:28263- Nikkaji
- J134.552D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 306.43 °C · 306.43°C (rough estimate)
- Density
- 1.6568 · 1.6568 (rough estimate)
- refractive index
- 1.4501 · 1.4501 (estimate)
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2,3,5-trichloro- (608-94-6)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2,3,5-trichlorobenzene-1,4-diol is a member of the class of chlorohydroquinones that is hydroquinone in which three of the four hydrogens attached to the benzene ring have been replaced by chlorines. It is a conjugate acid of a 2,3,6-trichloro-4-hydroxyphenolate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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