CAS 63366-79-0 3-Methylisoxazole-5-carboxylic acid ethyl ester (HCID 10329487)

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Basic information

CAS: 63366-79-0
Standard SMILES: CCOC(=O)c1cc(C)no1
InChIKey: LPMIZTNZMHVVSS-UHFFFAOYSA-N
Molecular formula: C7H9NO3
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.05824315

Names & identifiers

Preferred name: 3-Methylisoxazole-5-carboxylic acid ethyl ester
IUPAC: ethyl 3-methyl-1,2-oxazole-5-carboxylate
English name: 5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI)
Molecular formula: C7H9NO3
Molecular weight: 155.15

Names & synonyms

3-methylisoxazole-5-carboxylic acid ethyl esterRefChem:504271865-153-5Ethyl 3-Methylisoxazole-5-carboxylate63366-79-0Ethyl 3-methyl-1,2-oxazole-5-carboxylate5-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-, ETHYL ESTERMFCD116566153-methyl-isoxazole-5-carboxylic acid ethyl ester3-Methyl-5-isoxazolecarboxylic acid ethyl esterethyl3-methylisoxazole-5-carboxylate3-methyl-isoxazole-5-carboxyl

Show more names

3-Methyl-5-Isoxazolecarboxylic acid, ethyl ester5-Isoxazolecarboxylicacid, 3-methyl-, ethyl ester5-Isoxazolecarboxylicacid,3-methyl-,ethylester(6CI,7CI,9CI)

SCHEMBL1800827DTXSID70438119LPMIZTNZMHVVSS-UHFFFAOYSA-NALBB-014296BBL004014STK510032AKOS005174252AS-5345

Database identifiers

CAS: 63366-79-0
PubChem CID: 10329487
DTXSID: DTXSID70438119

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 27 · 27-28℃
Boiling point: 243.3 · 243.3±20.0 °C(Predicted)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -3.24 · -3.24±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses3-Methyl-5-isoxazole carboxylic acid methyl ester is a carboxylic acid ester compound that can be used as a raw material for organic synthesis.