2-(Methylsulfonyl)benzoic Acid - CAS 33963-55-2
Catalog: |
BB021916 |
Product Name: |
2-(Methylsulfonyl)benzoic Acid |
CAS: |
33963-55-2 |
Synonyms: |
2-methylsulfonylbenzoic acid; 2-methylsulfonylbenzoic acid |
IUPAC Name: | 2-methylsulfonylbenzoic acid |
Description: | 2-(Methylsulfonyl)benzoic Acid (CAS# 33963-55-2) is a useful research chemical. |
Molecular Weight: | 200.21 |
Molecular Formula: | C8H8O4S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1C(=O)O |
InChI: | InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10) |
InChI Key: | BZSXEZOLBIJVQK-UHFFFAOYSA-N |
Boiling Point: | 437.8 °C at 760 mmHg |
Density: | 1.392 g/cm3 |
MDL: | MFCD00216492 |
LogP: | 1.86910 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113493401-A | Preparation method of p-methylsulfonylbenzoic acid | 20200318 |
WO-2021105091-A1 | Novel heteroaryl-triazole compounds as pesticides | 20191125 |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
CN-109134321-A | A kind of preparation method of mesotrione intermediate | 20181022 |
US-2020108124-A1 | Releasable glp-1 conjugates | 20180912 |
PMID | Publication Date | Title | Journal |
17083214 | 20061113 | Phototriggered S --> O isomerization of a ruthenium-bound chelating sulfoxide | Inorganic chemistry |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.01432991 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.01432991 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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