Basic information
- CAS
6065-32-3- Standard SMILES
CCOC(=O)C=CCBr- InChIKey
FHGRPBSDPBRTLS-UHFFFAOYSA-N- Molecular formula
- C6H9BrO2
- Average molar mass
- 193.04 g/mol
- Monoisotopic mass
- 191.97859
Names & identifiers
- Preferred name
- Ethyl 4-bromo-2-butenoate
- IUPAC
- ethyl 4-bromobut-2-enoate
- English name
- ethyl 4-bromocrotonate
- Molecular formula
- C6H9BrO2
- Molecular weight
- 193.04
Names & synonyms
ethyl 4-bromo-2-butenoateSCHEMBL199006FHGRPBSDPBRTLS-UHFFFAOYSA-NDTXSID1013476884-bromo-2-butenoic acid ethyl ester4-Bromo-but-2-enoic acid ethyl esterAKOS025243687SY246705DB-049186F358026Ethyl 4-broMobut-2-enoateAi3-52372
Show more names
NSC 77083Einecs 227-996-12-Butenoic acid, 4-bromo-, ethyl ester1. 2-Butenoic acid, 4-bromo-, ethyl ester
Database identifiers
- CAS
6065-32-3- PubChem CID
- 98102
- DTXSID
DTXSID101347688
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 97 · 97-98℃ (15 Torr)
- Density
- 1.402 g/cm3 · 1.402 g/cm3(Temp: 16 °C)
- refractive index
- 1.492 · 1.492 (589.3 nm 16℃)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H370-H372-H373-H341-H350-H411
- Precautionary statements
- 501 · P501-P273-P260-P270-P202-P201-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8 / PGII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN 3265 8 / PGII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 26-36/37/39-45
- Hazard statements
- H302-H315-H319-H370-H372-H373-H341-H350-H411
- Precautionary statements
- P501-P273-P260-P270-P202-P201-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
16 records
Compound notes
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