Basic information
- CAS
1208-05-5- Standard SMILES
ClC(Cl)(Cl)c1nc(-c2ccccc2)no1- InChIKey
DYLKAZGGQBPFEM-UHFFFAOYSA-N- Molecular formula
- C9H5Cl3N2O
- Average molar mass
- 263.5 g/mol
- Monoisotopic mass
- 261.946746
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazole, 3-phenyl-5-trichloromethyl-
- IUPAC
- 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole
- English name
- 3-phenyl-5-(trichloromethyl)-1,2,4-oxadiazole
- Molecular formula
- C9H5Cl3N2O
- Molecular weight
- 263.51
Names & synonyms
1208-05-5BRN 05258163-Phenyl-5-trichloromethyl-1,2,4-oxadiazole1,2,4-OXADIAZOLE, 3-PHENYL-5-TRICHLOROMETHYL-DTXSID70153012RefChem:214941DTXCID70755033-phenyl-5-(trichloromethyl)-1,2,4-oxadiazoleSCHEMBL3634573DYLKAZGGQBPFEM-UHFFFAOYSA-NBAA208053-phenyl-5-trichloromethyl-[1,2,4]oxadiazole
Show more names
1,2,4-Oxadiazole, 3-phenyl-5-(trichloromethyl)-
EN300-155541
Database identifiers
- CAS
1208-05-5- PubChem CID
- 14577
- DTXSID
DTXSID70153012- Nikkaji
- J42.571K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 95 · 95-96 °C(Press: 0.01 Torr)
- Density
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- pka
- -4.78 · -4.78±0.48(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
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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