4-(5-Methyl-1,3,4-oxadiazol-2-YL)phenol
Basic information
- CAS
25877-46-7- Standard SMILES
Cc1nnc(-c2ccc(O)cc2)o1- InChIKey
ZGERZQXLBGWDCL-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 4-(5-Methyl-1,3,4-oxadiazol-2-YL)phenol
- IUPAC
- 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol
- English name
- 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
4-(5-METHYL-1,3,4-OXADIAZOL-2-YL)PHENOL25877-46-7MFCD041261744-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA: FREE)SCHEMBL8058008CHEMBL5271412DTXSID20421950ZGERZQXLBGWDCL-UHFFFAOYSA-NAKOS005102330DB-014366CS-0084215F16171
Show more names
Phenol, 4-(5-methyl-1,3,4-oxadiazol-2-yl)-8W-0877F2288324-(5-methyl-1,3,4-oxadiazol-2-yl)phenol(SALTDATA4-(5-Methyl-1,3,4-oxadiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
25877-46-7- PubChem CID
- 5124602
- DTXSID
DTXSID20421950- ChEMBL
CHEMBL5271412
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 236 °C · 236 °C(Solv: ethanol (64-17-5))
- Boiling point
- 352.9 · 352.9±44.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.17 · 8.17±0.15(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Related reactions
3 records
Compound notes
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