CAS 133674-44-9 3-Ethyl 3,5-isoxazoledicarboxylate (HCID 21648486)

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Basic information

CAS: 133674-44-9
Standard SMILES: CCOC(=O)c1cc(C(=O)O)on1
InChIKey: YICMWFKVBQBQDL-UHFFFAOYSA-N
Molecular formula: C7H7NO5
Average molar mass: 185.13 g/mol
Monoisotopic mass: 185.03242232

Names & identifiers

Preferred name: 3-Ethyl 3,5-isoxazoledicarboxylate
IUPAC: 3-ethoxycarbonyl-1,2-oxazole-5-carboxylic acid
English name: 3-(ethoxycarbonyl)-1,2-oxazole-5-carboxylic acid
Molecular formula: C7H7NO5
Molecular weight: 185.13

Names & synonyms

133674-44-93-(ethoxycarbonyl)-1,2-oxazole-5-carboxylic acidDTXSID1012975723-Ethyl 3,5-isoxazoledicarboxylateRefChem:501235DTXCID301727745855-941-73-(ethoxycarbonyl)isoxazole-5-carboxylic acid3-ethoxycarbonyl-1,2-oxazole-5-carboxylic acidMFCD20646210SCHEMBL892609YICMWFKVBQBQDL-UHFFFAOYSA-N

Show more names

3,5-Isoxazoledicarboxylic acid, 3-ethyl ester

IFA67444AT39432SY1672013-ethoxycarbonylisoxazole-5-carboxylic acidDB-1224523-(ethoxycarbonyl)isoxazole-5-carboxylicacidEN300-196537F1923-2651

Database identifiers

CAS: 133674-44-9
PubChem CID: 21648486
DTXSID: DTXSID101297572
EC Number: 855-941-7

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 89.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 217

Physicochemical properties

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

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

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