1-(4-Chlorophenyl)-2-methylpropan-1-one
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Basic information
- CAS
18713-58-1- Standard SMILES
CC(C)C(=O)c1ccc(Cl)cc1- InChIKey
OITFSBRKAUAGND-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.04984265
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-methylpropan-1-one
- IUPAC
- 1-(4-chlorophenyl)-2-methylpropan-1-one
- English name
- 4'-Chloro-2-methylpropiophenone
- Molecular formula
- C10H11ClO
- Molecular weight
- 182.65
Names & synonyms
1-(4-chlorophenyl)-2-methylpropan-1-one4'-ChloroisobutyrophenoneRefChem:425239867-613-018713-58-14'-CHLORO-2-METHYLPROPIOPHENONE1-(4-Chlorophenyl)-2-methyl-1-propanonep-Chloroisobutyrophenone1-Propanone, 1-(4-chlorophenyl)-2-methyl-4-Chlorophenyl isopropyl ketoneMFCD01696607p-Chlorophenyl isopropyl ketone
Show more names
4’-chloroisobutyrophenoneisopropyl-4-chlorophenylketonePROPIOPHENONE,4-CHLORO-2-METHYL1-(4-chlorophenyl)-2-methyl-1-propanon
4-chlorophenylisopropylketone1-(4-chlorophenyl)-2-methyl-propan-1-oneIsopropyl-4-chlorophenyl ketoneBRN 1448322p-chlorophenylisopropylketone4-07-00-00718 (Beilstein Handbook Reference)SCHEMBL2625462DTXSID20171983
Database identifiers
- CAS
18713-58-1- PubChem CID
- 72865
- DTXSID
DTXSID20171983- EC Number
- 867-613-0
- Nikkaji
- J1.058.895B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 260.78 °C · 260.78°C (rough estimate)
- Density
- 1.0929 · 1.0929 (rough estimate)
- refractive index
- 1.539 · 1.5390 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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