Basic information
- CAS
32787-79-4- Standard SMILES
Brc1ccc(C=Nn2cnnc2)cc1- InChIKey
DNEVVDSOWJXLAW-UHFFFAOYSA-N- Molecular formula
- C9H7BrN4
- Average molar mass
- 251.08 g/mol
- Monoisotopic mass
- 249.98541
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-
- IUPAC
- 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
- English name
- 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole
- Molecular formula
- C9H7BrN4
- Molecular weight
- 251.08
Names & synonyms
1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimineCBDivE_000160DTXSID003511004H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole
Database identifiers
- CAS
32787-79-4- PubChem CID
- 690735
- DTXSID
DTXSID00351100
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 383.8 · 383.8±44.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 3.03 · 3.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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