Basic information
- CAS
70477-21-3- Standard SMILES
CC(C)C(Cl)C#N- InChIKey
GMPPCOCINGLLFH-UHFFFAOYSA-N- Molecular formula
- C5H8ClN
- Average molar mass
- 117.58 g/mol
- Monoisotopic mass
- 117.034527
Names & identifiers
- Preferred name
- 2-Chloro-3-methylbutanenitrile
- IUPAC
- 2-chloro-3-methylbutanenitrile
Names & synonyms
2-Chloro-3-methylbutanenitrileRefChem:468721816-561-770477-21-3Butanenitrile, 2-chloro-3-methyl-.alpha.-ChloroisovaleronitrileSCHEMBL1343935DTXSID003349382-Chloro-3-methylbutanenitrile #GMPPCOCINGLLFH-UHFFFAOYSA-NAKOS011225104G55727
Show more names
EN300-1258276
Database identifiers
- CAS
70477-21-3- PubChem CID
- 522384
- DTXSID
DTXSID00334938- EC Number
- 816-561-7
- Nikkaji
- J2.951.335J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 89.5
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
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 2 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 CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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