Basic information
- CAS
18861-58-0- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(Br)cc1- InChIKey
MJGTUYOCBQBORS-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO2
- Average molar mass
- 280.12 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
- IUPAC
- ethyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
- English name
- 2-Propenoic acid, 2-cyano-3-(4-bromophenyl)-, ethyl ester
- Molecular formula
- C12H10BrNO2
- Molecular weight
- 280.12
Names & synonyms
3-(4-Bromo-phenyl)-2-cyano-acrylic acid ethyl esterethyl 3-(4-bromophenyl)-2-cyanoprop-2-enoateSCHEMBL363339MJGTUYOCBQBORS-UHFFFAOYSA-NAKOS017082584DB-365491ethyl 3-(4-bromophenyl)-2-cyano-prop-2-enoateEthyl 3-(4-Bromophenyl)-2-cyanoacrylate(E)-Ethyl 3-(4-bromophenyl)-2-cyanoacrylateethyl (E)-3-(4-bromophenyl)-2-cyanoprop-2-enoate2-Propenoic acid, 3-(4-bromophenyl)-2-cyano-, ethyl ester2-Propenoic acid, 2-cyano-3-(4-bromophenyl)-, ethyl ester
Database identifiers
- CAS
18861-58-0- PubChem CID
- 367501
- EC Number
- 159-526-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 97.5 °C · 97.5 °C
- Boiling point
- 384.9 · 384.9±32.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
Chemistry & industry
Suppliers8 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津康利欣科技有限公司18622939839
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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