Basic information
- CAS
90649-68-6- Standard SMILES
CC(=O)c1ccc(C)cc1Cl- InChIKey
MRYQHOMGPMPAJT-UHFFFAOYSA-N- Molecular formula
- C9H9ClO
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.03419259
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-methylphenyl)ethanone
- IUPAC
- 1-(2-chloro-4-methylphenyl)ethanone
- English name
- 1-(2-chloro-4-Methylphenyl)ethan-1-one
- Molecular formula
- C9H9ClO
- Molecular weight
- 168.62
Names & synonyms
90649-68-61-(2-Chloro-4-methylphenyl)ethanoneRefChem:2233031-(2-chloro-4-methylphenyl)ethan-1-oneEthanone, 1-(2-chloro-4-methylphenyl)-MFCD225730111-(2-Chloro-4-methyl-phenyl)-ethanoneSCHEMBL845424SCHEMBL47247174'-methyl-2'-chloroacetophenoneMRYQHOMGPMPAJT-UHFFFAOYSA-NDTXSID901292495
Show more names
QDA64968AKOS0207620721-(2-Chloro-4-methylphenyl)-ethanoneAT153391-(2-Chloro-4-methylphenyl)ethanone, 97%EN300-1986622F860725
Database identifiers
- CAS
90649-68-6- PubChem CID
- 15560949
- DTXSID
DTXSID901292495- EC Number
- 885-359-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 127 °C · 127 °C(Press: 17 Torr)
- Density
- 1.13 · 1.130±0.06 g/cm3(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
Chemistry & industry
Suppliers6 total
苏州施亚生物科技有限公司17715136450 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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