3-Chloro-1-(4-hydroxyphenyl)propan-1-one
Basic information
- CAS
7182-38-9- Standard SMILES
O=C(CCCl)c1ccc(O)cc1- InChIKey
QRXBKSZGQHXBDO-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-hydroxyphenyl)propan-1-one
- IUPAC
- 3-chloro-1-(4-hydroxyphenyl)propan-1-one
- English name
- 3-chloro-1-(4-hydroxyphenyl)propan-1-one
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
3-chloro-1-(4-hydroxyphenyl)propan-1-one7182-38-9NSC-465018H6HQR4DJTDTXSID202865613-Chloro-1-(4-hydroxyphenyl)-1-propanoneRefChem:93362DTXCID202377103-Chloro-4'-hydroxypropiophenoneMFCD18393259Dyclonine Impurity 21CHEMBL500579
Show more names
3-chloro-1-(4-hydroxyphenyl)propyl-1-one1-Propanone,3-chloro-1-(4-hydroxyphenyl)-
3-Chloro-4'-hydroxy-propiophenone; NSC 46501NSC46501SCHEMBL2392675QRXBKSZGQHXBDO-UHFFFAOYSA-NAC1755BDBM50255245Propiophenone, 3-chloro-4'-hydroxy-AKOS022516648
Database identifiers
- CAS
7182-38-9- PubChem CID
- 240358
- DTXSID
DTXSID20286561- ChEMBL
CHEMBL500579- UNII
- 8H6HQR4DJT
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Very Dark Red to Very Dark Red Brown
- FDA UNII
- 8 H6HQR4DJT · 8H6HQR4DJT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2914500090 · 2914500090
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
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesGABA transaminase inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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