Basic information
- CAS
1617-17-0- Standard SMILES
CC(Cl)C#N- InChIKey
JNAYPRPPXRWGQO-UHFFFAOYSA-N- Molecular formula
- C3H4ClN
- Average molar mass
- 89.52 g/mol
- Monoisotopic mass
- 89.00322681
Names & identifiers
- Preferred name
- 2-Chloropropionitrile
- IUPAC
- 2-chloropropanenitrile
- English name
- (+)-2-chloropropiononitrile
- Molecular formula
- C3H4ClN
- Molecular weight
- 89.52
Names & synonyms
2-ChloropropionitrilePROPANENITRILE, 2-CHLORO-EINECS 216-570-0RefChem:470501216-570-01617-17-02-ChloropropanenitrileCH3CHClCNPropanenitrile, 2-chloro- (9CI)70886-58-7MFCD00001859Propanenitrile, chloro-
Show more names
Propanenitrile, 2-chloro-, (+)- (9CI)
(+)-2-ChloropropiononitrilechloropropionitrileEINECS 274-982-6oropropionitriL2-Chloropropanenitrile #RZ9Z4PD9LY2-Chloropropionitrile, 95%SCHEMBL181388
Database identifiers
- CAS
1617-17-0、70886-58-7- PubChem CID
- 519225
- DTXSID
DTXSID401030864- UNII
- RZ9Z4PD9LY
- EC Number
- 216-570-0、274-982-6
- Nikkaji
- J139B、J288.671E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 60.5
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Suppliers1 total
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Related reactions
33 records
Compound notes
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