Basic information
- CAS
624-58-8- Standard SMILES
N#CCC1CO1- InChIKey
PITLRSDLRTWZGP-UHFFFAOYSA-N- Molecular formula
- C4H5NO
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.03711378
Names & identifiers
- Preferred name
- Oxiraneacetonitrile
- IUPAC
- 2-(oxiran-2-yl)acetonitrile
- English name
- epicyanohydrin
- Molecular formula
- C4H5NO
- Molecular weight
- 83.09
Names & synonyms
2-(oxiran-2-yl)acetonitrileOxiraneacetonitrile624-58-81,2-Epoxy-3-cyanopropaneNSC 26906RefChem:857732971-476-3Epicyanohydrin2-OXIRANEACETONITRILE1,2-EpoxybutyronitrileBUTYRONITRILE, 3,4-EPOXY-3,4-Epoxybutyronitrile
Show more names
6DWB6S23NGMFCD01737427NSC-269066509-08-6oxiranylacetonitrileNSC26906BRN 0080280Butyronitrile,4-epoxy-
Database identifiers
- CAS
624-58-8、6509-08-6- PubChem CID
- 23010
- DTXSID
DTXSID50983637- UNII
- 6DWB6S23NG
- EC Number
- 971-476-3
- Nikkaji
- J134.579F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- Boiling point
- 51 · 51-53 °C(Press: 5 Torr)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- FDA UNII
- 6 DWB6S23NG · 6DWB6S23NG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P203, P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…