Basic information
- CAS
236418-01-2- Standard SMILES
CC(C)CCC(=O)c1ccc(Cl)cc1- InChIKey
MOMILWVUQFINQM-UHFFFAOYSA-N- Molecular formula
- C12H15ClO
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0811428
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-4-methylpentan-1-one
- IUPAC
- 1-(4-chlorophenyl)-4-methylpentan-1-one
- English name
- 1-(4-chlorophenyl)-4-methylpentan-1-one
- Molecular formula
- C12H15ClO
- Molecular weight
- 210.7
Names & synonyms
1-(4-chlorophenyl)-4-methylpentan-1-one236418-01-21-(4-Chlorophenyl)-4-methyl-1-pentanoneSCHEMBL7426211MOMILWVUQFINQM-UHFFFAOYSA-NLJA41801MFCD11105533AKOS0093390581-Pentanone, 1-(p-chlorophenyl)-4-methyl-CS-02512761-(4-Chlorophenyl)-4-methyl-1-pentanone #EN300-54199
Show more names
1-Pentanone, 1-(4-chlorophenyl)-4-methyl-
G44673Z385417182
Database identifiers
- CAS
236418-01-2- PubChem CID
- 587458
- EC Number
- 191-479-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 297.8 · 297.8±13.0 °C(Predicted)
- Density
- 1.057 · 1.057±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
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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