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46193-76-4

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Basic Information
CAS No.: 46193-76-4
Name: Ethyl 4H-thieno[2,3-d]pyrrole-5-carboxylate
Article Data: 25
Molecular Structure:
Molecular Structure of 46193-76-4 (Ethyl 4H-thieno[2,3-d]pyrrole-5-carboxylate)
Formula: C9H9 N O2 S
Molecular Weight: 195.242
Synonyms: Ethyl4H-thieno[3,2-b]pyrrole-5-carboxylate; NSC 157804
Density: 1.339 g/cm3
Melting Point: 131-132ºC
Boiling Point: 345.7 ºC at 760 mmHg
Flash Point: 162.9 ºC
Hazard Symbols: Xi
PSA: 70.33000
LogP: 2.40610
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Chemistry

IUPAC Name: ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate 
Empirical Formula: C9H9NO2S
Molecular Weight: 195.2383g/mol
Structure of 4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, ethyl ester (CAS NO.46193-76-4):

Index of Refraction: 1.652
Molar Refractivity: 53.31 cm3
Molar Volume: 145.7 cm3
Polarizability: 21.13×10-24cm3
Surface Tension: 55.8 dyne/cm
Density: 1.339 g/cm3
Flash Point: 162.9 °C
Enthalpy of Vaporization: 58.98 kJ/mol
Boiling Point: 345.7 °C at 760 mmHg
Vapour Pressure: 6.06E-05 mmHg at 25°C 
Product Categories: Heterocycle intermediates;Esters;Fused Ring Systems 
Canonical SMILES: CCOC(=O)C1=CC2=C(N1)C=CS2
InChI: InChI=1S/C9H9NO2S/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChIKey: BLUDZFMRKHHPGZ-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
HazardClass: IRRITANT

Specification

  4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, ethyl ester , its cas register number is 46193-76-4. It also can be called Ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate ; Ethyl 4H-thieno[2,3-d]pyrrole-5-carboxylate .