Basic information
- CAS
3331-60-0- Standard SMILES
CC(C)(Cl)C#N- InChIKey
AMAFFZUDKROYAJ-UHFFFAOYSA-N- Molecular formula
- C4H6ClN
- Average molar mass
- 103.55 g/mol
- Monoisotopic mass
- 103.0188769
Overview
structure
Names & identifiers
- Preferred name
- Chloroisobutyronitrile
- IUPAC
- 2-chloro-2-methylpropanenitrile
- English name
- 2-chloro-2-methylpropiononitrile
- Molecular formula
- C4H6ClN
- Molecular weight
- 103.55
Names & synonyms
chloroisobutyronitrileRefChem:9184812-chloro-2-methylpropanenitrile3331-60-02-Chloro-2-methylpropiononitrileEINECS 222-057-2SCHEMBL678343SCHEMBL76686322-chloro-2-methyl-propionitrile2-chloro-2-methyl-propanenitrileDTXSID50186929AMAFFZUDKROYAJ-UHFFFAOYSA-N
Show more names
Propanenitrile, 2-chloro-2-methyl-
AKOS011224097CS-0223392NS00029458EN300-115106G49485
Database identifiers
- CAS
3331-60-0- PubChem CID
- 76849
- DTXSID
DTXSID50186929- EC Number
- 222-057-2
- Nikkaji
- J205.415I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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