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CAS Number: 13669-19-7
2-(5-chlorothiophen-2-yl)acetic acid

Structure

2-(5-chlorothiophen-2-yl)acetic acid
Name: 2-(5-chlorothiophen-2-yl)acetic acid
Synonyms:
General Information
Product Number: 13669197

CAS Registry Number 13669-19-7
Name:
2-?Thiopheneacetic acid, 5-?chloro-
(5-Chlorothien-2-yl)acetic acid
(5-Chlorothiophen-2-yl)acetic acid
5-Chlorothiophene-2-acetic acid

 

Chemical Formula: C6H5ClO2S
Exact Mass: 175.97
Molecular Weight: 176.62
m/z: 175.97 (100.0%), 177.97 (36.9%), 176.97 (7.4%), 178.97 (2.7%), 179.96 (1.5%)

 

InChI:InChI=1S/C6H5ClO2S/c7-5-2-1-4(10-5)3-6(8)9/h1-2H,3H2,(H,8,9)

InChI Key:QAHATWMAZYFBSC-UHFFFAOYSA-N

Canonical SMILES:C1=C(SC(=C1)Cl)CC(=O)O

 

Thermal Properties Value Condition Note
Boiling Point 112-115 °C Press: 0.5 Torr (1)CAS
Boiling Point 110-120 °C Press: 0.7 Torr (2)CAS
Melting Point 110-120 °C   (2)CAS
Melting Point 66-67 °C   (3)CAS
Melting Point 65.5-66 °C   (1)CAS
Melting Point 64.5-65.5 °C Solv: carbon tetrachloride (56-23-5) (4)CAS

Specification

98%

References
  1. (1) Cairns, T. L.; Journal of Organic Chemistry 1950, V15, P790-4 CAPLUS
  2. (2) Kooreman, H. J.; Recueil des Travaux Chimiques des Pays-Bas 1967, V86(1), P37-55 CAPLUS
  3. (3) Imoto, Eiji; Bulletin of Naniwa University, Series A: Engineering and Natural Sciences 1954, V2A, P127-34 CAPLUS
  4. (4) Ford, Jared H.; Journal of the American Chemical Society 1950, V72, P2109-12 CAPLUS
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