ethyl 1H-indazole-3-carboxylate

HCID 78251CAS 4498-68-4

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Basic information

Standard SMILES: CCOC(=O)c1n[nH]c2ccccc12
InChIKey: YLKPTYMNELPKOL-UHFFFAOYSA-N
Molecular formula: C10H10N2O2
Average molar mass: 190.2 g/mol
Monoisotopic mass: 190.07422757

Names & identifiers

Preferred name: ethyl 1H-indazole-3-carboxylate
IUPAC: ethyl 1H-indazole-3-carboxylate
English name: 1H-Indazole-3-carboxylic acid ethyl ester
Molecular formula: C10H10N2O2
Molecular weight: 190.2

Names & synonyms

Ethyl 1H-indazole-3-carboxylate4498-68-41H-Indazole-3-carboxylic acid, ethyl ester3-EthoxycarbonylindazoleNVS5MS5YGCETHYL 3-INDAZOLECARBOXYLATEEINECS 224-795-0NSC 179807NSC-179807DTXSID70196348RefChem:138504DTXCID80118839

Show more names

3-(Ethoxycarbonyl)-1H-indazoleEthyl 1H-indazole-3-carboxylate 95+%3-Indazolecarboxylic acid ethyl esterIndazole-3-carboxylic acid ethyl ester1-Benzyl-3-indazolecarboxylic acid ethyl ester1H-Indazole-3-carboxylic acid ethyl ester ,97%1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, 95+%

224-795-01H-Indazole-3-carboxylic acid ethyl esterMFCD01138134cid_78251SCHEMBL9593641H-lndazole-3-carboxylic acid ethyl esterMLS000037997HMS2311J04

Database identifiers

CAS: 4498-68-4
PubChem CID: 78251
DTXSID: DTXSID70196348
ChEMBL: CHEMBL1405110
UNII: NVS5MS5YGC
EC Number: 224-795-0
Nikkaji: J205.871E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 220

Physicochemical properties

Melting point: 136 · 136-138℃
Boiling point: 353.9 · 353.9±15.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.93 · 11.93±0.40(Predicted)
Appearance: Off-white to light yellow Solid
FDA UNII: 5 MS5YGC · NVS5MS5YGC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37
HS Code: 29339900 · 29339900

Safety & regulation

Safety data

hs_code: 29339900
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330