Basic information
- CAS
361198-37-0- Standard SMILES
N#Cc1c(-c2ccccc2)cc(-c2cccc(Br)c2)nc1N- InChIKey
LTUFQXNNTKDUFV-UHFFFAOYSA-N- Molecular formula
- C18H12BrN3
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.02146
Names & identifiers
- Preferred name
- 2-Amino-6-(3-bromophenyl)-4-phenylpyridine-3-carbonitrile
- IUPAC
- 2-amino-6-(3-bromophenyl)-4-phenylpyridine-3-carbonitrile
Names & synonyms
361198-37-02-amino-6-(3-bromophenyl)-4-phenylpyridine-3-carbonitrileRefChem:464693864-913-32-amino-6-(3-bromophenyl)-4-phenylnicotinonitrileMFCD019578112-amino-6-(3-bromophenyl)-4-phenyl-pyridine-3-carbonitrileAKOS001652589SY279557CS-0237651EU-0008179EN300-18600814
Show more names
SR-01000463131SR-01000463131-1
Database identifiers
- CAS
361198-37-0- PubChem CID
- 1069540
- EC Number
- 864-913-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
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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