Basic information
- CAS
24423-98-1- Standard SMILES
O=C(CO)CCl- InChIKey
JWZYQAITGQPZNM-UHFFFAOYSA-N- Molecular formula
- C3H5ClO2
- Average molar mass
- 108.52 g/mol
- Monoisotopic mass
- 107.99780708
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Chloro-3-hydroxy-2-propanone
- IUPAC
- 1-chloro-3-hydroxypropan-2-one
- English name
- 1-chloro-3-hydroxyacetone
- Molecular formula
- C3H5ClO2
- Molecular weight
- 108.52
Names & synonyms
1-Chloro-3-hydroxyacetone24423-98-11-Hydroxy-3-chloroacetone2-Propanone, 1-chloro-3-hydroxy-1-chloro-3-hydroxy-2-propanoneQU742J268W3-chloro-1-hydroxyacetone1-chloro-3-hydroxypropanoneDTXSID90179178RefChem:9075473-chloro-1-hydroxypropanoneDTXCID20101669
Show more names
246-239-61-chloro-3-hydroxypropan-2-one2-Propanone,1-chloro-3-hydroxy-EINECS 246-239-6UNII-QU742J268Wl-chloro-3-hydroxypropanoneSCHEMBL353991SCHEMBL11715053
Database identifiers
- CAS
24423-98-1- PubChem CID
- 90494
- DTXSID
DTXSID90179178- UNII
- QU742J268W
- EC Number
- 246-239-6
- Nikkaji
- J287.244G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Physicochemical properties
- Boiling point
- 176.3 · 176.3±15.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.10(Predicted)
- FDA UNII
- 742 J268W · QU742J268W
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
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