Basic information
- CAS
15625-88-4- Standard SMILES
CC(=O)n1cncn1- InChIKey
GLGDTYAVPSJOSQ-UHFFFAOYSA-N- Molecular formula
- C4H5N3O
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.04326179
Names & identifiers
- Preferred name
- 1-Acetyl-1,2,4-triazole
- IUPAC
- 1-(1,2,4-triazol-1-yl)ethanone
- English name
- 1H-1,2,4-Triazole,1-acetyl-(6CI,7CI,8CI,9CI)
- Molecular formula
- C4H5N3O
- Molecular weight
- 111.1
Names & synonyms
15625-88-41-(1H-1,2,4-triazol-1-yl)ethan-1-one1-(1H-1,2,4-Triazol-1-yl)ethanone1-Acetyl-1,2,4-triazole1-(1,2,4-triazol-1-yl)ethanone1-ACETYL-1H-1,2,4-TRIAZOLEMFCD18807045Ethanone, 1-(1H-1,2,4-triazol-1-yl)-1-[1,2,4]Triazol-1-ylethanone1H-1,2,4-Triazole,1-acetyl-(6CI,7CI,8CI,9CI)Ethanone,1-(1H-1,2,4-triazol-1-yl)-N-acetyl-1,2,4-triazol
Show more names
SCHEMBL9427893DTXSID70166066GLGDTYAVPSJOSQ-UHFFFAOYSA-N1H-1,2,4-Triazole,1-acetyl-1H-1,2,4-triazole, 1-acetyl-AKOS026674963FK-0043CS-0447429
Database identifiers
- CAS
15625-88-4- PubChem CID
- 27422
- DTXSID
DTXSID70166066- EC Number
- 190-104-3
- Nikkaji
- J304.701F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 241.6 · 241.6±23.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers22 total
Zhengzhou Anhuida Chemical Co., Ltd+86-15903659408 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海凯米莱铂生物科技有限公司18116465878 · [email protected]
合肥诚权生物科技有限公司0551-0551130 13034045150 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
长沙福臻生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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