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Chemical manufacturer | ||||
Name | 3-(4-Methanesulfonylbenzoyl)Propionic Acid |
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Synonyms | 4-(4-Methylsulfonylphenyl)-4-Oxo-Butanoic Acid; 4-Keto-4-(4-Mesylphenyl)Butyric Acid; St5408149 |
Molecular Structure | ![]() |
Molecular Formula | C11H12O5S |
Molecular Weight | 256.27 |
CAS Registry Number | 7028-79-7 |
SMILES | C1=CC(=CC=C1C(CCC(O)=O)=O)[S](C)(=O)=O |
InChI | 1S/C11H12O5S/c1-17(15,16)9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14) |
InChIKey | LOIRMIGGBFNYOZ-UHFFFAOYSA-N |
Density | 1.3±0.1g/cm3 (Cal.) |
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Melting point | 168-172°C (Expl.) |
Boiling point | 541.5±50.0°C at 760 mmHg (Cal.) |
Flash point | 281.3±30.1°C (Cal.) |
Safety Code | S26;S37 Details |
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Risk Code | R36/37/38 Details |
Hazard Symbol | ![]() |
Safety Description | IRRITANT |
SDS | Available |
(1) | D. E. Lynch and I. McClenaghan. 3-[4-(Methylsulfonyl)benzoyl]propionic acid, Acta Cryst. (2002). E58, o729-o730 |
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Market Analysis Reports |
List of Reports Available for 3-(4-Methanesulfonylbenzoyl)Propionic Acid |