Benzenepropanoicacid, 4-(chlorosulfonyl)-

CAS

63545-54-0

Catalog Number

ACM63545540

Category

Other Products

Molecular Weight

248.68

Molecular Formula

C9H9ClO4S

MSDS COA Spec Sheet

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Specification

Synonyms

63545-54-0, 3-(4-(Chlorosulfonyl)phenyl)propanoic acid, 4-(Chlorosulphonyl)dihydrocinnamic acid, 3-[4-(chlorosulfonyl)phenyl]propanoic acid, 3-[4-(Chlorosulphonyl)phenyl]propanoic acid, 4-(CHLOROSULFONYL)-BENZENEPROPANOIC ACID, AC1MBWYR, 3-(4-chlorosulfonylphenyl)propanoic Acid, AC1Q758G, CTK2F2592, MolPort-000-153-564, p-Chlorosylphonyldihydrocinnamic acid, ANW-44538, AKOS001104761, AB11278, AG-G-36063, MCULE-7411259985, AK-92329, Benzenepropanoicacid, 4-(chlorosulfonyl)-, KB-59436

IUPAC Name

3-(4-chlorosulfonylphenyl)propanoic acid

Canonical SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)Cl

InChI Key

INJMPXHPNFJMLG-UHFFFAOYSA-N

Boiling Point

401.7ºC at 760 mmHg

Melting Point

130-134ºC

Flash Point

196.8ºC

Density

1.462g/cm³

Exact Mass

247.99100

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S36-S37-S39

Upstream Synthesis Route 1

501-52-0

63545-54-0

Reference: [1]Current Patent Assignee: WINSTON PHARMACEUTICALS LLC - WO2004/9583, 2004, A2
Location in patent: Page 196
[2]Current Patent Assignee: ALEVIUM PHARMACEUTICALS - US2005/38076, 2005, A1
Location in patent: Page/Page column 24
[3]Uhlenbroek et al.
[Recueil des Travaux Chimiques des Pays-Bas, 1957, vol. 76, p. 129,138,145]