5-Chloro-1,2,4-benzenetriol
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Basic information
- CAS
119290-91-4- Standard SMILES
Oc1cc(O)c(Cl)cc1O- InChIKey
RSJCPOVKDYSWAP-UHFFFAOYSA-N- Molecular formula
- C6H5ClO3
- Average molar mass
- 160.55 g/mol
- Monoisotopic mass
- 159.9927217
Names & identifiers
- Preferred name
- 5-Chloro-1,2,4-benzenetriol
- IUPAC
- 5-chlorobenzene-1,2,4-triol
- English name
- 5-CHLORO-4-HYDROXYCATECHOL
- Molecular formula
- C6H5ClO3
- Molecular weight
- 160.56
Names & synonyms
119290-91-45-chloro-1,2,4-benzenetriolBenzene-1,2,4-triol, 5-chloro-DTXSID30152384RefChem:1072772DTXCID20748755-chlorobenzene-1,2,4-triol5-chlorohydroxyquinol5-Chloro-1,2,4-trihydroxybenzene1,2,4-Benzenetriol, 5-chloro-5-Chloro-4-hydroxycatechol1,2,4-Benzenetriol,5-chloro-
Show more names
5-Chloro-hydroxyquinolSCHEMBL5928925-chloro-2-hydroxyhydroquinoneMFCD11226216AKOS006309349C07102G67461EN300-1599472
Database identifiers
- CAS
119290-91-4- PubChem CID
- 189666
- DTXSID
DTXSID30152384- Nikkaji
- J725.522E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 117 °C · 117 °C
- Boiling point
- 338.6 · 338.6±22.0 °C(Predicted)
- Density
- 1.66 · 1.660±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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