5-Methoxybenzoxazolone
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Basic information
- CAS
40925-63-1- Standard SMILES
COc1ccc2oc(=O)[nH]c2c1- InChIKey
YOLHKYWNQMSMDN-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- 5-Methoxybenzoxazolone
- IUPAC
- 5-methoxy-3H-1,3-benzoxazol-2-one
- English name
- 5-methoxy-3H-benzooxazol-2-one
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
2(3H)-Benzoxazolone, 5-methoxy-2-BENZOXAZOLINONE, 5-METHOXY-5-Methoxy-2-benzoxazolinone5-MethoxybenzoxazoloneE34KUF6QEONSC 24999BRN 0141094AI3-25156UNII-E34KUF6QEONSC-249994-27-00-03517 (Beilstein Handbook Reference)5-METHOXY-2(3H)-BENZOXAZOLONE
Show more names
5-Methoxybenzoxazol-2(3H)-one5-methoxy-3H-benzooxazol-2-one5-methoxybenzo[d]oxazol-2(3H)-one5-Methoxy-2,3-dihydro-1,3-benzoxazol-2-one
5-(methyloxy)-1,3-benzoxazol-2(3H)-oneDTXSID801939295-METHOXY-2-BENZOXAZOLONE5-METHOXY-1,3-BENZOXAZOL-2-(3H)-ONERefChem:198943DTXCID701164202(3H)-Benzoxazolone, 5-methoxy-(9CI)40925-63-1
Database identifiers
- CAS
40925-63-1- PubChem CID
- 38715
- DTXSID
DTXSID80193929- UNII
- E34KUF6QEO
- EC Number
- 114-405-6
- Nikkaji
- J41.863C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 8.8 · 8.80±0.70(Predicted)
- Appearance
- Purple to pink Solid
- FDA UNII
- 34 KUF6QEO · E34KUF6QEO
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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