1-(3-Chloro-4-methoxy-5-methylphenyl)ethan-1-one
Basic information
- CAS
56755-88-5- Standard SMILES
COc1c(C)cc(C(C)=O)cc1Cl- InChIKey
RTBXCVSQJRFGIG-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-methoxy-5-methylphenyl)ethan-1-one
- IUPAC
- 1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
- English name
- 1-(3-Chloro-4-methoxy-5-methyl-phenyl)-ethanone
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
1-(3-chloro-4-methoxy-5-methylphenyl)ethan-1-one56755-88-5RefChem:423559984-943-11-(3-chloro-4-methoxy-5-methylphenyl)ethanoneGCA75588MFCD22385537AKOS024072182ST103000CS-0239056EN300-204875G45963
Show more names
1-(3-Chloro-4-methoxy-5-methyl-phenyl)-ethanoneEthanone, 1-(3-chloro-4-methoxy-5-methylphenyl)-
1-(3-chloro-4-methoxy-5-methyl-phenyl)ethanoneZ1504675594
Database identifiers
- CAS
56755-88-5- PubChem CID
- 12232199
- EC Number
- 984-943-1
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 95 · 95–100°C
- 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.
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationObtained by reaction of dimethyl sulfate with 3-chloro-4-hydroxy-5-methylacetophenone in the presence of sodium ethoxide and sodium iodide in boiling ethanol.
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Related reactions
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Compound notes
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