2-Bromo-4-fluorobenzenepropanenitrile
Basic information
- CAS
1057676-38-6- Standard SMILES
N#CCCc1ccc(F)cc1Br- InChIKey
ODGWJNBLBSQNKG-UHFFFAOYSA-N- Molecular formula
- C9H7BrFN
- Average molar mass
- 228.06 g/mol
- Monoisotopic mass
- 226.97459
Names & identifiers
- Preferred name
- 2-Bromo-4-fluorobenzenepropanenitrile
- IUPAC
- 3-(2-bromo-4-fluorophenyl)propanenitrile
Names & synonyms
3-(2-BROMO-4-FLUOROPHENYL)PROPANENITRILE1057676-38-6DTXSID2012887102-Bromo-4-fluorobenzenepropanenitrileRefChem:466548DTXCID401719343830-608-9Benzenepropanenitrile, 2-bromo-4-fluoro-SCHEMBL199265272-Bromo-4-fluorophenylpropanenitrileAKOS006147396AT28471
Show more names
3-(2-bromo-4-fluoro-phenyl)propanenitrileCS-0238201EN300-1913106F655493
Database identifiers
- CAS
1057676-38-6- PubChem CID
- 53434278
- DTXSID
DTXSID201288710- EC Number
- 830-608-9
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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