5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
Basic information
- CAS
82476-06-0- Standard SMILES
O=c1[nH]nc(C(F)(F)F)o1- InChIKey
WBAFTNAJPQGNME-UHFFFAOYSA-N- Molecular formula
- C3HF3N2O2
- Average molar mass
- 154.05 g/mol
- Monoisotopic mass
- 153.99901177
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)-1,3,4-oxadiazol-2-OL
- IUPAC
- 5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one
- English name
- 5-(trifluoromethyl)-1,3,4-oxadiazol-2-ol(SALTDATA: FREE)
- Molecular formula
- C3HF3N2O2
- Molecular weight
- 154.05
Names & synonyms
82476-06-05-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOL-2-OL5-(trifluoromethyl)-3H-1,3,4-oxadiazol-2-one5-(trifluoromethyl)-1,3,4-oxadiazol-2(3h)-oneMFCD151432141,3,4-Oxadiazol-2(3H)-one, 5-(trifluoromethyl)-SCHEMBL8299796SCHEMBL30024561DTXSID20415854WBAFTNAJPQGNME-UHFFFAOYSA-NWBAFTNAJPQGNME-UHFFFAOYSA-OALBB-030299
Show more names
5-(Trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-2-one5-(trifluoromethyl)-1,3,4-oxadiazol-2-ol(SALTDATA: FREE)
AKOS006332975AKOS026732163LS-10803DB-349696CS-03669935-trifluoromethyl-1,3,4-oxadiazol-2(3h)-oneF30919F312514
Database identifiers
- CAS
82476-06-0- PubChem CID
- 5323975
- DTXSID
DTXSID20415854
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Density
- 1.93 · 1.93±0.1 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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