Basic information
- CAS
1647-11-6- Standard SMILES
C=C(C#N)CC- InChIKey
TVONJMOVBKMLOM-UHFFFAOYSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784923
Overview
2-ethylacrylonitrile has been reported in Brassica napus and Brassica rapa with data available.
Names & identifiers
- Preferred name
- 2-Ethylacrylonitrile
- IUPAC
- 2-methylidenebutanenitrile
- English name
- Ethacrylonitrile
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
2-Ethylacrylonitrile1647-11-6EthacrylonitrileButanenitrile, 2-methylene-2-MethylenebutyronitrileUNII-7302D17F4G.alpha.-EthylacrylonitrileButyronitrile, 2-methylene-2-Propenenitrile, 2-ethyl-7302D17F4G2-CYANO-1-BUTENEalpha-Ethylacrylonitrile
Show more names
2-methylene butyronitrile
RefChem:86937TVONJMOVBKMLOM-UHFFFAOYSA-N2-methylenebutanenitrile2-methylidenebutanenitrile2-Methylene butanenitrileSCHEMBL274668SCHEMBL1053037SCHEMBL11803858
Database identifiers
- CAS
1647-11-6- PubChem CID
- 519271
- UNII
- 7302D17F4G
- EC Number
- 898-525-0
- Nikkaji
- J113.169I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 93.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 111.9 · 111.9-112.9 °C
- Boiling point
- 115 · 115.0-115.4 °C(Press: 752 Torr)
- Density
- 0.81389 g/cm3 · 0.81389 g/cm3
- FDA UNII
- 7302 D17F4G · 7302D17F4G
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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
Hazards SummarySee NITRILES.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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