Basic information
- CAS
67593-46-8- Standard SMILES
COC(=O)C(=Cc1ccccc1Cl)C(C)=O- InChIKey
MNMKWCPLHQYQLU-UHFFFAOYSA-N- Molecular formula
- C12H11ClO3
- Average molar mass
- 238.66 g/mol
- Monoisotopic mass
- 238.03967189
Names & identifiers
- Preferred name
- Methyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
- IUPAC
- methyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
- English name
- 2-Acetyl-3-(2-chlorophenyl)acrylic acid methyl ester
- Molecular formula
- C12H11ClO3
- Molecular weight
- 238.67
Names & synonyms
67593-46-8methyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate2-(2-Chloro-benzylidene)-3-oxo-butyric acid methyl esterMFCD09031296methyl 2-[(2-chlorophenyl)methylene]-3-oxo-butanoateSCHEMBL3183430DTXSID40305945MNMKWCPLHQYQLU-UHFFFAOYSA-NSB38251methyl 2-(2-chlorobenzyliden)acetoacetatemethyl 2-(2-chlorobenzylidene)acetoacetateDB-055049
Show more names
Felodipine Impurity 08Amlodipine impurities1747METHYL 2-ACETYL-3-(2-CHLOROPHENYL)ACRYLATEMethyl 2-(2-chlorobenzylidene)acetoaceatateMethyl 2-(2-chlorobenzylidene)-3-oxobutanoatemethyl (E)-2-(2-chlorobenzylidene)-3-oxobutanoate2-Acetyl-3-(2-Chlorophenyl)-Acryl Acid Methyl Ester2-ACETYL-3-(2-CHLOROPHENYL)-ACRYLIC ACID METHYL ESTERButanoic acid, 2-[(2-chlorophenyl)Methylene]-3-oxo-, Methyl ester
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 347.2 · 347.2±27.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 67593 · 67593-46-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
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
Suppliers27 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
宁夏碧翠丝医药科技有限公司15769589321 1548536191 · [email protected]
Related reactions
4 records
Compound notes
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