CAS 181633-60-3 Ethyl 2-formyl-1,3-oxazole-4-carboxylate (HCID 10583255)

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Basic information

CAS: 181633-60-3
Standard SMILES: CCOC(=O)c1coc(C=O)n1
InChIKey: GCCVOQPMHVWBLV-UHFFFAOYSA-N
Molecular formula: C7H7NO4
Average molar mass: 169.13 g/mol
Monoisotopic mass: 169.0375077

Names & identifiers

Preferred name: Ethyl 2-formyl-1,3-oxazole-4-carboxylate
IUPAC: ethyl 2-formyl-1,3-oxazole-4-carboxylate
English name: Ethyl2-forMyloxazole-4-carboxylate
Molecular formula: C7H7NO4
Molecular weight: 169.13

Names & synonyms

Ethyl 2-formyl-1,3-oxazole-4-carboxylateRefChem:594387877-538-5Ethyl 2-formyloxazole-4-carboxylate181633-60-34-Oxazolecarboxylic acid, 2-formyl-, ethyl esterEthyl2-formyloxazole-4-carboxylateMFCD19981977SCHEMBL856356DTXSID10442013GCCVOQPMHVWBLV-UHFFFAOYSA-NAB76348

Show more names

AT18587FE172827DB-370257CS-0217231EN300-716161F6408192-FORMYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTERZ1263714842

Database identifiers

CAS: 181633-60-3
PubChem CID: 10583255
DTXSID: DTXSID10442013
EC Number: 877-538-5
Nikkaji: J1.936.050D

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 182

Physicochemical properties

Boiling point: 282.9 · 282.9±32.0 °C(Predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Predicted)
pka: -4.49 · -4.49±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P