2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-1-ethanone
Basic information
- CAS
320424-29-1- Standard SMILES
O=C(Cn1nc(Br)nc1Br)c1ccccc1- InChIKey
DVXLIQUFJYKXNL-UHFFFAOYSA-N- Molecular formula
- C10H7Br2N3O
- Average molar mass
- 344.99 g/mol
- Monoisotopic mass
- 342.89559
Names & identifiers
- Preferred name
- 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-1-ethanone
- IUPAC
- 2-(3,5-dibromo-1,2,4-triazol-1-yl)-1-phenylethanone
- English name
- 2-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-1-ethanone
- Molecular formula
- C10H7Br2N3O
- Molecular weight
- 344.99
Names & synonyms
320424-29-12-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-1-ethanoneMFCD01568876MLS0011662652-(3,5-dibromo-1,2,4-triazol-1-yl)-1-phenylethanoneSMR0005499652-(Dibromo-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-oneCHEMBL1609542DTXSID301211427HMS2883A08AKOS005080990
Show more names
Ethanone, 2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-
12N-715SR-01000815869A1-04332SR-01000815869-22-(3,5-Dibromo-[1,2,4]triazol-1-yl)-1-phenyl-ethanone2-(3,5-dibromo-1,2,4-triazol-1-yl)-1-phenyl-ethanone2-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)-1-phenylethanone
Database identifiers
- CAS
320424-29-1- PubChem CID
- 1490482
- DTXSID
DTXSID301211427- ChEMBL
CHEMBL1609542
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 489 · 489.0±47.0 °C(Predicted)
- Density
- 1.92 · 1.92±0.1 g/cm3(Predicted)
- pka
- -2.49 · -2.49±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…