5-Chloro-3-phenylisoxazole
Basic information
- CAS
3356-89-6- Standard SMILES
Clc1cc(-c2ccccc2)no1- InChIKey
KWVZAEKGUQQYMK-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 5-Chloro-3-phenylisoxazole
- IUPAC
- 5-chloro-3-phenyl-1,2-oxazole
- English name
- 5-Chloro-3-phenylisoxazole
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
5-Chloro-3-phenylisoxazole3356-89-63-Phenyl-5-chloroisoxazoleDTXSID50315671RefChem:102346DTXCID90266794KWVZAEKGUQQYMK-UHFFFAOYSA-N5-chloro-3-phenyl-1,2-oxazole5-CHLORO-3-PHENYL-OXAZOLEIsoxazole, 5-chloro-3-phenyl-MFCD00046079NSC295879
Show more names
5-Chloro-3-phenylisoxazole CAS：3356-89-6
5-chloro-3-phenyl-isoxazoleSCHEMBL929198CHEMBL3276976DAA35689AKOS006275095DS-3038NSC-295879CAS3356-89-6
Database identifiers
- CAS
3356-89-6- PubChem CID
- 326080
- DTXSID
DTXSID50315671- ChEMBL
CHEMBL3276976- Nikkaji
- J102.689E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 51 · 51-52℃
- Boiling point
- 314.5 · 314.5±22.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -4.43 · -4.43±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…