3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
Basic information
- CAS
17280-90-9- Standard SMILES
CCOC(=O)n1c(=O)oc2ccccc21- InChIKey
GNKDZBUSDLIVPQ-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
- IUPAC
- ethyl 2-oxo-1,3-benzoxazole-3-carboxylate
- English name
- Ethyl 2,3-dihydro-2-oxo-3-benzoxazolecarboxylate
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
17280-90-9BRN 02018783(2H)-BENZOXAZOLECARBOXYLIC ACID, 2-OXO-, ETHYL ESTER3-Etoksykarbonylo-benzoksazolon-23-Etoksykarbonylo-benzoksazolon-2 [Polish]2-Oxo-3(2H)-benzoxazolecarboxylic acid ethyl esterETHYL 2,3-DIHYDRO-2-OXO-3-BENZOXAZOLECARBOXYLATEDTXSID401694032-27-00-00223 (Beilstein Handbook Reference)RefChem:484758DTXCID1091894659-529-6
Show more names
Ethyl 2-oxobenzo[d]oxazole-3(2H)-carboxylateethyl 2-oxo-1,3-benzoxazole-3(2H)-carboxylateethyl 2-oxo-2,3-dihydro-1,3-benzoxazole-3-carboxylateMLS000518865SMR000129285ethyl 2-oxo-1,3-benzoxazole-3-carboxylateMaybridge3_003262Opera_ID_1347
Database identifiers
- CAS
17280-90-9- PubChem CID
- 28445
- DTXSID
DTXSID40169403- ChEMBL
CHEMBL1437940- EC Number
- 659-529-6
- Nikkaji
- J2.096.267D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 70 · 70-71 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 305.6 · 305.6±25.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- -1.4 · -1.40±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Compound notes
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