Basic information
- CAS
1404370-64-4- Standard SMILES
CCOC(=O)c1ccc2ocnc2c1- InChIKey
NYONLFVSTRIQFN-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- Ethyl 5-Benzoxazolecarboxylate
- IUPAC
- ethyl 1,3-benzoxazole-5-carboxylate
- English name
- Ethyl 5-Benzoxazolecarboxylate
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
Ethyl 5-Benzoxazolecarboxylate1404370-64-4Ethyl benzo[d]oxazole-5-carboxylateethyl 1,3-benzoxazole-5-carboxylateMFCD226828025-Benzoxazolecarboxylic acid, ethyl esterEthyl5-Benzoxazolecarboxylate5-Benzoxazolecarboxylic acid ethyl esterSCHEMBL5009974SCHEMBL11781256AKOS025404349AS-32230
Show more names
DA-10581SY022498CS-0044462F387287
Database identifiers
- CAS
1404370-64-4- PubChem CID
- 21881856
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 287.1 · 287.1±13.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -2.43 · -2.43±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- 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-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers22 total
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海丝帆医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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