2-Chloro-1-(4-ethylphenyl)ethanone
Basic information
- CAS
50690-09-0- Standard SMILES
CCc1ccc(C(=O)CCl)cc1- InChIKey
MLDROUSGWZPVMD-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.0498427
Names & identifiers
- Preferred name
- 2-Chloro-1-(4-ethylphenyl)ethanone
- IUPAC
- 2-chloro-1-(4-ethylphenyl)ethanone
- English name
- Ethanone, 2-chloro-1-(4-ethylphenyl)- (9CI)
- Molecular formula
- C10H11ClO
- Molecular weight
- 182.65
Names & synonyms
50690-09-02-chloro-1-(4-ethylphenyl)ethanone2-Chloro-1-(4-ethylphenyl)-ethanone2-chloro-1-(4-ethylphenyl)ethan-1-one2-Chloro-1-(4-ethyl-phenyl)-ethanoneEthanone, 2-chloro-1-(4-ethylphenyl)- (9CI)MFCD03964194Ethanone, 2-chloro-1-(4-ethylphenyl)-Ethanone,2-chloro-1-(4-ethylphenyl)-SCHEMBL11357034DTXSID80402745ALBB-025894
Show more names
SBB072734AKOS000115668NS-01619CS-0307553ST45029066EN300-01881W161492-Chloro-1-(4-ethylphenyl)ethanone, AldrichCPR
Database identifiers
- CAS
50690-09-0- PubChem CID
- 4389060
- DTXSID
DTXSID80402745- Nikkaji
- J1.619.160D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 38 · 38-39 °C
- Boiling point
- 147 · 147-150 °C(Press: 10 Torr)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C10H11ClO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7H2,1H3
- InChIKey
- MLDROUSGWZPVMD-UHFFFAOYSA-N
- SMILES
- ClCC(=O)c1ccc(cc1)CC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- HS Code
- 2914790090 · 2914790090
- Storage Class
- 11 · 11 - Combustible Solids
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
- 2914790090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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