1,3-Benzenedicarbonyl dichloride, 5-hydroxy-
Basic information
- CAS
61842-44-2- Standard SMILES
O=C(Cl)c1cc(O)cc(C(=O)Cl)c1- InChIKey
PVOFLWDXEXGWNT-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2O3
- Average molar mass
- 219.02 g/mol
- Monoisotopic mass
- 217.9537494
Names & identifiers
- Preferred name
- 1,3-Benzenedicarbonyl dichloride, 5-hydroxy-
- IUPAC
- 5-hydroxybenzene-1,3-dicarbonyl chloride
- English name
- 5-hydroxyisophthaloyl dichloride
- Molecular formula
- C8H4Cl2O3
- Molecular weight
- 219.02
Names & synonyms
61842-44-21,3-Benzenedicarbonyl dichloride, 5-hydroxy-EINECS 263-271-6DTXSID3069512RefChem:412887DTXCID30431525-Hydroxyisophthaloyl dichloride5-hydroxy-1,3-Benzenedicarbonyl dichloride5-HYDROXYBENZENE-1,3-DICARBONYL DICHLORIDE5-hydroxybenzene-1,3-dicarbonyl chlorideR6B44NR4GESCHEMBL11705603
Show more names
5-Hydroxyisophthalic acid dichloride1,3-BENZENEDICARBONYL DICHLORIDE,5-HYDROXY-
PVOFLWDXEXGWNT-UHFFFAOYSA-NDB-219518NS00034810
Database identifiers
- CAS
61842-44-2- PubChem CID
- 112756
- DTXSID
DTXSID3069512- UNII
- R6B44NR4GE
- EC Number
- 263-271-6
- Nikkaji
- J306.920F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 367.7 · 367.7±32.0 °C(Predicted)
- Density
- 1.556 · 1.556±0.06 g/cm3(Predicted)
- pka
- 7.95 · 7.95±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarbonyl dichloride, 5-hydroxy- (61842-44-2)
- 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 Information1,3-Benzenedicarbonyl dichloride, 5-hydroxy-: INACTIVE
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Compound notes
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