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CAS Number: 29182-42-1
ethyl 2-(benzo[d]thiazol-2-yl)acetate

Structure

 ethyl 2-(benzo[d]thiazol-2-yl)acetate
Name: ethyl 2-(benzo[d]thiazol-2-yl)acetate
Synonyms:
General Information
Product Number: 29182421

CAS Registry Number 29182-42-1
Name:
2-?Benzothiazoleacetic acid, ethyl ester
Ethyl (benzothiazol-2-yl)acetate
Ethyl 2-(2-benzothiazolyl)acetate
Ethyl 2-(benzothiazol-2-yl)acetate
Ethyl 2-benzothiazoleacetate
NSC 621357

 

Chemical Formula: C11H11NO2S
Exact Mass: 221.05
Molecular Weight: 221.28
m/z: 221.05 (100.0%), 222.05 (13.1%), 223.05 (4.7%), 223.06 (1.1%)

 

InChI:InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3

InChI Key:VYMJUZXFYAREJY-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)CC1=NC2=CC=CC=C2S1

 

Thermal Properties Value Condition Note
Boiling Point 145 °C Press: 1.5 Torr (1)IC
Boiling Point 121-126 °C Press: 0.5 Torr (2)CAS
Boiling Point 90-95 °C Press: 0.1 Torr (3)IC
Boiling Point See full text   (4)CAS

Specification

98%
References
  1. (1) McKinnon, David M.; Canadian Journal of Chemistry 1988, V66(9), P2339-44 CAPLUS
  2. (2) Hamer, Frances M.; Journal of the Chemical Society 1956, P1480-98 CAPLUS
  3. (3) Klemm, L. H.; Journal of Heterocyclic Chemistry 1989, V26(6), P1519-22 CAPLUS
  4. (4) Abbotto, Alessandro; Journal of Organic Chemistry 2002, V67(16), P5753-5772 CAPLUS
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