Basic information
- CAS
14123-60-5- Standard SMILES
CC(=O)Cc1cccc(Cl)c1- InChIKey
VCNYPJMEQHTAHS-UHFFFAOYSA-N- Molecular formula
- C9H9ClO
- Average molar mass
- 168.62 g/mol
- Monoisotopic mass
- 168.03419259
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)propan-2-one
- IUPAC
- 1-(3-chlorophenyl)propan-2-one
- English name
- 3-Chlorophenylacetone
- Molecular formula
- C9H9ClO
- Molecular weight
- 168.62
Names & synonyms
1-(3-chlorophenyl)propan-2-oneRefChem:423703855-643-714123-60-53-Chlorophenylacetone1-(3-Chlorophenyl)-2-propanoneMFCD000828721-(3-chlorophenyl)acetone2-Propanone, 1-(3-chlorophenyl)-m-Chlorophenylacetone(3-chlorophenyl)-acetoneSCHEMBL201554
Show more names
TIMTEC-BB SBB0058383-chorophenylacetone(M-CHLOROPHENYL)ACETONE3-Chlorophenylacetone >3-Chlorophenylacetone,94%3-CHLOROPHENYLACETONE 94%M-chlorophenylpropan-2-one1-(m-Chlorophenyl)-2-propanone
SCHEMBL27601163DTXSID70370121VCNYPJMEQHTAHS-UHFFFAOYSA-NPAA123601-(3-chloro-phenyl)-propan-2-oneSBB005838AKOS005259426DS-16285
Database identifiers
- CAS
14123-60-5- PubChem CID
- 2734097
- DTXSID
DTXSID70370121- EC Number
- 855-643-7
- Nikkaji
- J515.579G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 99 °C/5mmHg · 99°C/5mmHg(lit.)
- Density
- 1.1115 · 1.1115 (rough estimate)
- refractive index
- 1.532 · 1.532-1.536
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- form
- Liquid
- color
- Clear yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H412
- Precautionary statements
- 273 · P273
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-52
- Safety Statements
- 24 · 24/25
- HS Code
- 29143900 · 29143900
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29143900
- risk_code
- 22-52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H302-H412
- Precautionary statements
- P273
Chemistry & industry
Applications
Uses3-Chlorophenylacetone has been used as a reactant with nitromalonaldehyde.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
15 records
Compound notes
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