4-(Methylsulfonyl)benzoic acid - CAS 4052-30-6
Catalog: |
BB024552 |
Product Name: |
4-(Methylsulfonyl)benzoic acid |
CAS: |
4052-30-6 |
Synonyms: |
4-methylsulfonylbenzoic acid |
IUPAC Name: | 4-methylsulfonylbenzoic acid |
Description: | 4-(Methylsulfonyl)benzoic acid (CAS# 4052-30-6) is a useful research chemical. |
Molecular Weight: | 200.21 |
Molecular Formula: | C8H8O4S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
InChI Key: | AJBWNNKDUMXZLM-UHFFFAOYSA-N |
Boiling Point: | 363 °C |
Melting Point: | 270-275 °C |
Purity: | 95 % |
Density: | 1.545 g/cm3 |
Appearance: | White. |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00007564 |
LogP: | 1.86910 |
GHS Hazard Statement: | H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248407-A | Multifunctional aromatic amine compound and preparation method and application thereof | 20210520 |
CN-112341334-A | Terpene ester compound, preparation method thereof and application thereof in pest control of agricultural and forestry crops | 20201110 |
CN-112300033-A | Device and method for fully and continuously synthesizing 2-nitro-4-methylsulfonylbenzoic acid from 4-methylsulfonyltoluene | 20201103 |
CN-111978201-A | Synthesis method of N, N' -diaryl benzoyl hydrazine compound | 20201009 |
CN-111254457-A | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
PMID | Publication Date | Title | Journal |
20417050 | 20101201 | Identification of radiolysis products of solid thiamphenicol | Journal of pharmaceutical and biomedical analysis |
19822973 | 20091001 | Radiostability of florfenicol in the solid state | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 280 |
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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