2-Bromo-3-methylbutanenitrile
Basic information
- CAS
25117-57-1- Standard SMILES
CC(C)C(Br)C#N- InChIKey
BJERBFCIVSSJCS-UHFFFAOYSA-N- Molecular formula
- C5H8BrN
- Average molar mass
- 162.03 g/mol
- Monoisotopic mass
- 160.98401
Names & identifiers
- Preferred name
- 2-Bromo-3-methylbutanenitrile
- IUPAC
- 2-bromo-3-methylbutanenitrile
- English name
- 2-bromo-3-methylbutanenitrile
- Molecular formula
- C5H8BrN
- Molecular weight
- 162.02772
Names & synonyms
2-bromo-3-methylbutanenitrile25117-57-1RefChem:85680828-197-6DTXSID301306949ABA11757AKOS017529144G47022EN300-1239804
Database identifiers
- CAS
25117-57-1- PubChem CID
- 12470646
- DTXSID
DTXSID301306949- EC Number
- 828-197-6
Properties
Computed structural properties
- XLogP
- 2.1
- 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
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H227-H335-H315-H319-H312-H302
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H227-H335-H315-H319-H312-H302
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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