Basic information
- CAS
1785543-84-1- Standard SMILES
Cc1cc(CC#N)cc(C)c1Br- InChIKey
VRGXQGFXYZXQTR-UHFFFAOYSA-N- Molecular formula
- C10H10BrN
- Average molar mass
- 224.1 g/mol
- Monoisotopic mass
- 222.99966
Names & identifiers
- Preferred name
- 2-(4-Bromo-3,5-dimethylphenyl)acetonitrile
- IUPAC
- 2-(4-bromo-3,5-dimethylphenyl)acetonitrile
Names & synonyms
2-(4-bromo-3,5-dimethylphenyl)acetonitrile1785543-84-1RefChem:456944962-018-3AT51858EN300-1892997
Database identifiers
- CAS
1785543-84-1- PubChem CID
- 84789596
- EC Number
- 962-018-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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