Basic information
- CAS
16155-94-5- Standard SMILES
Cc1ccc(-c2nc3cc(C)ccc3o2)cc1- InChIKey
RETREZSKHMFVCD-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- Benzoxazole, 5-methyl-2-(4-methylphenyl)-
- IUPAC
- 5-methyl-2-(4-methylphenyl)-1,3-benzoxazole
- English name
- 5-methyl-2-(p-tolyl)benzoxazole
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
16155-94-5Benzoxazole, 5-methyl-2-(4-methylphenyl)-5-Methyl-2-(p-tolyl)benzoxazoleEINECS 240-308-4DTXSID2066018RefChem:566394DTXCID7035199240-308-45-methyl-2-(4-methylphenyl)-1,3-benzoxazole2-p-Tolyl-5-methylbenzoxazole5-methyl-2-(p-tolyl)benzo[d]oxazoleMLS000113249
Show more names
5-Methyl-2-(p-tolyl)benzoxazol5-Methyl-2-(4-methylphenyl)benzoxazole2-(4-Methylphenyl)-5-methylbenzoxazole
SMR000109153Cambridge id 7035094cid_85307CHEMBL234583SCHEMBL3288386BDBM48186HMS2167H15HMS3317H20
Database identifiers
- CAS
16155-94-5- PubChem CID
- 85307
- DTXSID
DTXSID2066018- ChEMBL
CHEMBL234583- EC Number
- 240-308-4
- Nikkaji
- J286.832F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 135 · 135-136 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 327.9 · 327.9±21.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 2.74 · 2.74±0.10(Predicted)
- EPA Substance Registry System
- 5 · Benzoxazole, 5-methyl-2-(4-methylphenyl)- (16155-94-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazole, 5-methyl-2-(4-methylphenyl)-: INACTIVE
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
2 records
Compound notes
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