2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol
Basic information
- CAS
18233-24-4- Standard SMILES
Oc1ccccc1-c1nnc(-c2ccccc2)o1- InChIKey
AXKJOWVRUHGNBD-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol
- IUPAC
- 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
- English name
- 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenolDTXSID60419396RefChem:458997DTXCID30370243851-668-218233-24-4Phenol, 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-NSC1760812-(2-hydroxyphenyl)-5-phenyl-1,3,4-oxadiazoleSCHEMBL6450028CHEMBL1276289HMS1652G04
Show more names
MFCD00228304STK500236AKOS002868750CCG-179796NSC-176081LS-02093DB-116329CS-0318393
Database identifiers
- CAS
18233-24-4- PubChem CID
- 300765
- DTXSID
DTXSID60419396- ChEMBL
CHEMBL1276289- EC Number
- 851-668-2
- Nikkaji
- J1.096.420B、J2.502.084G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 433 °C · 433 °C
- Boiling point
- 423.1 · 423.1±47.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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