Basic information
- CAS
62448-29-7- Standard SMILES
Cc1ccc(CC(Br)C#N)cc1- InChIKey
LWIBRNSEZYUOOO-UHFFFAOYSA-N- Molecular formula
- C10H10BrN
- Average molar mass
- 224.1 g/mol
- Monoisotopic mass
- 222.99966
Names & identifiers
- Preferred name
- 2-Bromo-3-(4-methylphenyl)propanenitrile
- IUPAC
- 2-bromo-3-(4-methylphenyl)propanenitrile
- English name
- 2-Bromo-3-(4-methylphenyl)propanenitrile
- Molecular formula
- C10H10BrN
- Molecular weight
- 224.1
Names & synonyms
2-bromo-3-(4-methylphenyl)propanenitrile62448-29-7DTXSID40406986RefChem:466215DTXCID90357838108-318-22-Bromo-3-(p-tolyl)propanenitrileMFCD06655384MCA44829AKOS001076207AKOS016885056CS-0232075
Show more names
Benzenepropanenitrile, α-bromo-4-methyl-
EN300-12623G35559Z85923462
Database identifiers
- CAS
62448-29-7- PubChem CID
- 4962003
- DTXSID
DTXSID40406986- EC Number
- 108-318-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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