2(3H)-Benzoxazolone, 3-ethyl-
Basic information
- CAS
30741-06-1- Standard SMILES
CCn1c(=O)oc2ccccc21- InChIKey
CQEWMIYTLWJAAY-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 2(3H)-Benzoxazolone, 3-ethyl-
- IUPAC
- 3-ethyl-1,3-benzoxazol-2-one
- English name
- 3-ethylbenzoxazol-2(3H)-one
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
2(3H)-Benzoxazolone, 3-ethyl-30741-06-1N-Ethylbenzoxazolone3-Ethyl-2-benzoxazolone3-Ethyl-2-benzoxazolinoneBRN 0006473EINECS 250-319-62-BENZOXAZOLINONE, 3-ETHYL-DTXSID8067571RefChem:439853DTXCID00382513-Ethyl-2(3H)-benzoxazolone
Show more names
3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one
3-ethyl-1,3-benzoxazol-2(3H)-one3-Ethylbenzoxazol-2(3H)-one3-ethyl-1,3-benzoxazol-2-one3-ethylbenzoxazolinoneSCHEMBL90481927D5NFJ29NSCHEMBL55371263-Ethylbenzoxazol -2(3h)-one
Database identifiers
- CAS
30741-06-1- PubChem CID
- 35453
- DTXSID
DTXSID8067571- UNII
- 27D5NFJ29N
- EC Number
- 250-319-6
- Nikkaji
- J65.951G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 184 · 184-188 °C(Press: 30 Torr)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.20(Predicted)
- FDA UNII
- 27 D5NFJ29N · 27D5NFJ29N
- EPA Substance Registry System
- 2 · 2(3H)-Benzoxazolone, 3-ethyl- (30741-06-1)
- 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 Information2(3H)-Benzoxazolone, 3-ethyl-: INACTIVE
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Compound notes
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