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CAS Number: 50803-29-7
3-(chlorosulfonyl)-4-methoxybenzoic acid

Structure

3-(chlorosulfonyl)-4-methoxybenzoic acid
Name: 3-(chlorosulfonyl)-4-methoxybenzoic acid
Synonyms:
General Information
Product Number: 50803297

CAS Registry Number 50803-29-7
Name:
Benzoic acid, 3-​(chlorosulfonyl)​-​4-​methoxy-
3-(Chlorosulfonyl)-4-methoxybenzoic acid
3-Carboxy-6-methoxybenzenesulfonyl chloride

 

Chemical Formula: C8H7ClO5S
Exact Mass: 249.97
Molecular Weight: 250.66
m/z: 249.97 (100.0%), 251.97 (37.6%), 250.97 (9.6%), 252.97 (3.5%), 253.96 (1.4%)

 

InChI:InChI=1S/C8H7ClO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)

InChI Key:OWBBPHXIAFVUMO-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl

 

Thermal Properties Value Condition Note
Melting Point 178 °C   (2)CAS
Melting Point 178 °C   (3)IC
Melting Point 174-176 °C   (4)IC

Specification

98%

References
  1. (2) Shah, Madhavlal S.; Journal of the Chemical Society 1933, P1375-81 CAPLUS
  2. (3) Master, H. E.; Journal of the Indian Chemical Society 1978, V55(2), P196-8 CAPLUS
  3. (4) El-Naggar, A. M.; Pakistan Journal of Scientific and Industrial Research 1982, V25(5), P157-61 CAPLUS
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