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CAS Number: 29212-25-7
5-(tert-butyl)thiophene-2-carboxylic acid

Structure

 5-(tert-butyl)thiophene-2-carboxylic acid
Name: 5-(tert-butyl)thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 29212257

CAS Registry Number 29212-25-7
Name:
2-?Thiophenecarboxylic acid, 5-?(1,?1-?dimethylethyl)?-
2-Thiophenecarboxylic acid, 5-tert-butyl- (6CI,7CI,8CI)
5-tert-Butyl-2-thiophenecarboxylic acid

 

Chemical Formula: C9H12O2S
Exact Mass: 184.06
Molecular Weight: 184.26
m/z: 184.06 (100.0%), 185.06 (10.7%), 186.05 (4.5%)

 

InChI:InChI=1S/C9H12O2S/c1-9(2,3)7-5-4-6(12-7)8(10)11/h4-5H,1-3H3,(H,10,11)

InChI Key:BJDXNKJQTLSJPM-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC=C(S1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 127-128 °C   (1)CAS
Melting Point 126 °C   (2)CAS
Melting Point 124-125 °C   (3)CAS

Specification

98%
References
  1. (1) Messina, Nicholas; Journal of the American Chemical Society 1952, V74, P920-3 CAPLUS
  2. (2) Sy, Michel; Journal of the Chemical Society 1954, P1975-8 CAPLUS
  3. (3) Schick, John W.; Journal of the American Chemical Society 1948, V70, P1645 CAPLUS
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