Basic information
- CAS
1260667-92-2- Standard SMILES
CC(C)n1cc(Br)nn1- InChIKey
GNNGRGTZRJNJBT-UHFFFAOYSA-N- Molecular formula
- C5H8BrN3
- Average molar mass
- 190.04 g/mol
- Monoisotopic mass
- 188.99016
Names & identifiers
- Preferred name
- 4-Bromo-1-(propan-2-yl)-1H-1,2,3-triazole
- IUPAC
- 4-bromo-1-propan-2-yltriazole
- English name
- 4-Bromo-1-(propan-2-yl)-1H-1,2,3-triazole
- Molecular formula
- C5H8BrN3
- Molecular weight
- 190.04
Names & synonyms
4-Bromo-1-(propan-2-yl)-1H-1,2,3-triazole1260667-92-24-BROMO-1-ISOPROPYL-1H-1,2,3-TRIAZOLESCHEMBL27227401MFCD18250436AT32074CS-47431SY352630EN300-12778394-Bromo-1-(1-methylethyl)-1H-1,2,3-triazole1H-1,2,3-Triazole, 4-bromo-1-(1-methylethyl)-
Database identifiers
- CAS
1260667-92-2- PubChem CID
- 84771344
- EC Number
- 886-005-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.2
Physicochemical properties
- Boiling point
- 233.7 · 233.7±32.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- -1.25 · -1.25±0.20(Predicted)
Chemistry & industry
Suppliers9 total
韶远科技（上海）有限公司4000665055 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…