CAS 50614-84-1 Ethyl indole-4-carboxylate (HCID 605034)

Substructure search Find similar structures

Basic information

CAS: 50614-84-1
Standard SMILES: CCOC(=O)c1cccc2[nH]ccc12
InChIKey: ZIUDZKABRXGZFO-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Names & identifiers

Preferred name: Ethyl indole-4-carboxylate
IUPAC: ethyl 1H-indole-4-carboxylate
English name: Ethyl 1H-indole-4-carboxylate
Molecular formula: C11H11NO2
Molecular weight: 189.21

Names & synonyms

50614-84-1Ethyl indole-4-carboxylateDTXSID20345501RefChem:344866DTXCID70296574ZIUDZKABRXGZFO-UHFFFAOYSA-NEthyl 1H-indole-4-carboxylateMFCD000097381H-indole-4-carboxylic acid ethyl esterEthyl1H-indole-4-carboxylate4-ethoxycarbonyl indoleSCHEMBL6417970

Show more names

Ethyl indole-4-carboxylate in stock Factory

Ethyl 1H-indole-4-carboxylate #SBB066738AKOS015854535FE43776FS-3325AC-27788SY013867DB-297282

Database identifiers

CAS: 50614-84-1
PubChem CID: 605034
DTXSID: DTXSID20345501
Nikkaji: J236.661D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 70 · 70-71 °C
Boiling point: 342.4 · 342.4±15.0 °C(Predicted)
Density: 1.21 · 1.210±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 15.83 · 15.83±0.30(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H400-H411
Precautionary statements: 501 · P501-P261-P273-P270-P271-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H302-H315-H319-H335-H400-H411
Precautionary statements: P501-P261-P273-P270-P271-P264-P280-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P312-P403+P233-P405