CAS 36818-07-2 Ethyl 3-hydroxyquinoxaline-2-carboxylate (HCID 248643)

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Basic information

CAS: 36818-07-2
Standard SMILES: CCOC(=O)c1nc2ccccc2[nH]c1=O
InChIKey: MIIFHRBUBUHJMC-UHFFFAOYSA-N
Molecular formula: C11H10N2O3
Average molar mass: 218.21 g/mol
Monoisotopic mass: 218.06914218

Names & identifiers

Preferred name: Ethyl 3-hydroxyquinoxaline-2-carboxylate
IUPAC: ethyl 3-oxo-4H-quinoxaline-2-carboxylate
English name: 3-Oxo-3,4-dihydro-quinoxaline-2-carboxylic acid
Molecular formula: C11H10N2O3
Molecular weight: 218.21

Names & synonyms

36818-07-2ethyl 3-hydroxyquinoxaline-2-carboxylateDTXSID30289987RefChem:1084864DTXCID00241133ethyl 3-oxo-3,4-dihydro-2-quinoxalinecarboxylateEthyl 3-oxo-3,4-dihydroquinoxaline-2-carboxylateethyl 3-oxo-4H-quinoxaline-2-carboxylateMFCD00459589ethyl 3-hydroxy-2-quinoxalinecarboxylate2-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-, ethyl esterNSC65995

Show more names

TIMTEC-BB SBB0002823,4-DIHYDRO-3-OXO-2-QUINOXALINECARBOXYLIC ACID3-Oxo-3,4-dihydro-quinoxaline-2-carboxylic acid3-oxo-4H-quinoxaline-2-carboxylic acid ethyl ester3-keto-4H-quinoxaline-2-carboxylic acid ethyl esterethyl 3-oxo-4H-quinoxaline-2-carboxylate - [E86595]

CBMicro_008493NCIOpen2_002913Oprea1_061260Oprea1_540401Oprea1_668853CBDivE_006184SCHEMBL880365SCHEMBL8861207

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 67.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 338

Physicochemical properties

Melting point: 175.5 · 175.5-176.5 °C
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 9.01 · 9.01±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HazardClass: IRRITANT

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.