Basic information
- CAS
1619-58-5- Standard SMILES
CCOC(=O)C(C#N)CC- InChIKey
FCISHUHNFYJJDU-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- Ethyl 2-cyanobutanoate
- IUPAC
- ethyl 2-cyanobutanoate
- English name
- Ethyl 2-cyanobutanoate
- Molecular formula
- C7H11NO2
- Molecular weight
- 141.17
Names & synonyms
ethyl 2-cyanobutanoateDTXSID80277197RefChem:594344DTXCID70228355630-887-51619-58-5MFCD02258598Butanoic acid, 2-cyano-, ethyl esterethyl 2-cyanobutyrateHC5NP58RS6ethyl2-cyanobutanoateNSC-1101
Show more names
RARECHEM AL BS 0407Ethyl 2-cyanobutanoate 98%2-cyanobutyric acid ethyl ester2-cyanoButanoic acid ethyl ester
NSC1101UNII-HC5NP58RS6SCHEMBL10325478SCHEMBL109202662-cyano-butyric acid ethyl esterFCISHUHNFYJJDU-UHFFFAOYSA-NNSC 1101Butyric acid, 2-cyano-, ethyl ester
Database identifiers
- CAS
1619-58-5- PubChem CID
- 219611
- DTXSID
DTXSID80277197- UNII
- HC5NP58RS6
- EC Number
- 630-887-5
- Nikkaji
- J818.885H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 220 · 220-223 °C
- Boiling point
- 206 · 206-208 °C(Press: 761 Torr)
- Density
- 0.985 · 0.985
- Flash point
- 83 ° · 83°(181°F)
- refractive index
- 1.417 · 1.4170
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Colorless
- FDA UNII
- 5 NP58RS6 · HC5NP58RS6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H312-H315-H319-H332-H335
- Precautionary statements
- 210 e-P261-P280-P305+P351+P338-P405-P501a · P210e-P261-P280-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 6.1
- Hazard statements
- H227-H302-H312-H315-H319-H332-H335
- Precautionary statements
- P210e-P261-P280-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers36 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
2 records
Compound notes
Loading…