Basic information
- CAS
1823924-16-8- Standard SMILES
Cc1cc(N)c(C#N)cc1Br- InChIKey
JUMBIYSZZDBMKB-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926
Names & identifiers
- Preferred name
- 2-Amino-5-bromo-4-methylbenzonitrile
- IUPAC
- 2-amino-5-bromo-4-methylbenzonitrile
Names & synonyms
2-amino-5-bromo-4-methylbenzonitrile1823924-16-8RefChem:464525964-392-3SCHEMBL12414780MFCD280605652-Amino-5-bromo-4-methyl-benzonitrileAT32015EN300-746616
Database identifiers
- CAS
1823924-16-8- PubChem CID
- 58338165
- EC Number
- 964-392-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, 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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