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CAS Number: 32137-76-1
ethyl benzo[d]thiazole-2-carboxylate

Structure

ethyl benzo[d]thiazole-2-carboxylate
Name: ethyl benzo[d]thiazole-2-carboxylate
Synonyms:
General Information
Product Number: 32137761
CAS Registry Number: 32137-76-1
Name:
        2-​Benzothiazolecarboxy​lic acid, ethyl ester
        (2-​Ethoxycarbonyl)​benzothiazole; Ethyl 2-​benzothiazolecarboxy​late; Ethyl benzo[d]​thiazole-​2-​carboxylate 
 
Chemical Formula: C10H9NO2S
Exact Mass: 207.04
Molecular Weight: 207.25
m/z: 207.04 (100.0%), 208.04 (11.0%), 209.03 (4.5%), 208.03 (1.2%), 209.04 (1.1%)
Elemental Analysis: C, 57.95; H, 4.38; N, 6.76; O, 15.44; S, 15.47
 
InChI: InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
InChIKey: VLQLCEXNNGQELL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC2=CC=CC=C2S1
 
Thermal Properties Value Condition Note
Melting Point 220 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 70-71 °C   (3)IC
Melting Point 68-70 °C   (6)CAS
Melting Point 68-70 °C Solv: ligroine (8032-32-4) (7)CAS
Melting Point 60-63 °C   (6)CAS

Specification

98%

References
  1. (1) Sawhney, Shanti N.; Journal of Organic Chemistry 1979, V44(7), P1136-42 CAPLUS
  2. (2) Gomez, E.; Tetrahedron 1986, V42(10), P2625-34 CAPLUS
  3. (3) Liso, Gaetano; Journal of Heterocyclic Chemistry 1987, V24(6), P1683-4 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Reddy, G. Srinivas; Journal of Teaching and Research in Chemistry 2006, V13(1), P47-51 CAPLUS
  6. (6) Ulrich, H.; Science of Synthesis 2002, V11, P835-912 CAPLUS
  7. (7) Rajeeva, B.; E-Journal of Chemistry 2009, V6(3), P775-779 CAPLUS
  8. (8) Yale, Harry L.; Journal of the American Chemical Society 1953, V75, P1933-42 CAPLUS
  9. (9) Rajeeva, B.; Asian Journal of Chemistry 2009, V21(6), P4339-4345 CAPLUS
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