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CAS Number: 2810-04-0
ethyl thiophene-2-carboxylate

Structure

 ethyl thiophene-2-carboxylate
Name: ethyl thiophene-2-carboxylate
Synonyms:
General Information
Product Number: 2810040
CAS Registry Number: 2810-04-0
Name:
        2-​Thiophenecarboxylic acid, ethyl ester
        2-​(Ethoxycarbonyl)​thiophene; 2-​Thienylcarboxylic acid ethyl ester; Ethyl 2-​thenoate; Ethyl 2-​thiophenecarboxylate; Ethyl thiophen-​2-​carboxylate; NSC 39455 
 
Chemical Formula: C7H8O2S
Exact Mass: 156.02
Molecular Weight: 156.20
m/z: 156.02 (100.0%), 157.03 (7.7%), 158.02 (4.5%)
Elemental Analysis: C, 53.82; H, 5.16; O, 20.49; S, 20.53
 
InChI: InChI=1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey: JZGZKRJVTIRPOK-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=CS1
 
Thermal Properties Value Condition Note
Boiling Point 218 °C   (2)SRC
Boiling Point 114-115 °C Press: 25 Torr (3)CAS
Boiling Point 114-115 °C Press: 25 Torr (4)CAS
Boiling Point 94.5 °C Press: 14 Torr (5)CAS

Specification

98%
References
  1. (1) Bouklah, M.; Journal of Applied Electrochemistry 2005, V35(11), P1095-1101 CAPLUS
  2. (2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  3. (3) Falbe, Juergen; Chemische Berichte 1965, V98(6), P1928-37 CAPLUS
  4. (4) Kametani, Tetsuji; Yakugaku Zasshi 1965, V85(6), P518-20 CAPLUS
  5. (5) Dann, Otto; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1943, V76B, P419-30 CAPLUS
  6. (6) Liang, Yong-min; Journal of Chemical Research 2004, (3), P226-227 CAPLUS
  7. (7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  8. (8) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  9. (9) Wu, Xiao-Feng; European Journal of Organic Chemistry 2009, (8), P1144-1147 CAPLUS
  10. (10) Lee, Adam Shih-Yuan; Synthesis 2004, (4), P568-572 CAPLUS
  11. (11) Ribeiro da Silva, Manuel A. V.; Journal of Chemical Thermodynamics 2009, V41(8), P926-931 CAPLUS
  12. (12) Santos, Ana Filipa L. O. M.; Journal of Chemical Thermodynamics 2013, V58, P476-478 CAPLUS
  13. (13) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  14. (14) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  15. (15) Hirono, Yutaro; Chemical Communications (Cambridge, United Kingdom) 2010, V46(40), P7623-7624 CAPLUS
  16. (16) Liu, Jing; Tetrahedron 2008, V64(40), P9581-9584 CAPLUS
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