Basic information
- CAS
83553-13-3- Standard SMILES
CC(=O)Cc1nnc(C)o1- InChIKey
JZDZFCHYDRLYQQ-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- 1-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-2-one
- IUPAC
- 1-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-one
- English name
- 2-Acetonyl-5-methyl-1,3,4-oxadiazole
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
83553-13-31-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-oneDTXSID20513864RefChem:225795DTXCID304646712-Acetonyl-5-methyl-1,3,4-oxadiazole5-methyl-2-(2-oxoprop-1-yl)-1,3,4-oxadiazoleMFCD098007461-(5-methyl-[1,3,4]oxadiazol-2-yl)-propan-2-oneSCHEMBL3432268JZDZFCHYDRLYQQ-UHFFFAOYSA-NAKOS005138218
Show more names
2-Propanone, 1-(5-methyl-1,3,4-oxadiazol-2-yl)-
DB-359036
Database identifiers
- CAS
83553-13-3- PubChem CID
- 12955432
- DTXSID
DTXSID20513864
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 53 °C · 53 °C
- Boiling point
- 248.8 · 248.8±42.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- -3.99 · -3.99±0.32(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- HazardClass
- IRRITANT
- 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
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
1 records
Compound notes
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