2-Methoxy-5-(methylsulfonyl)benzoic acid

Basic Information

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CAS Number

50390-76-6

Molecular Formula

C9H10O5S

Molecular Weight

230.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

190-193°C

Boiling Point

467.9°C at 760 mmHg

SMILES

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COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

BXWLVQXAFBWKSR-UHFFFAOYSA-N

LogP

0.7968999999999999

Topological Polar Surface Area

80.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

329

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Methoxy-5-(methylsulfonyl)benzoic acid
FT-0602557
2-methoxy 5-methylsulfonylbenzoic acid
AKOS009306643
2-methoxy-5-methylsulphonylbenzoic acid
D71094
2-methoxy-5-methylsulfonylbenzoic acid
NS00057541
2-methoxy-5-methylsulfonylbenzoic acid, AldrichCPR
SY109981
Z381371870
4-CHLORO-2-PHENYLQUINOLINE,99
SCHEMBL987275
2-Methoxy-5-(methylsulphonyl)benzoic acid
W-105966
5-Mesyl-o-anisic acid
2-methoxy-5-methylsulfonyl benzoic acid
2-Methoxy-5-Methyl Sulfonylbenzoic Acid
Benzoic acid, 2-methoxy-5-(methylsulfonyl)-
TIAPRIDE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
EINECS 256-573-4
UNII-HL1OU1ENK7
5-methylsulfonyl-2-methoxybenzoic acid
PS-7720
2-methoxy-5-(methylsulfonyl) benzoic acid
BXWLVQXAFBWKSR-UHFFFAOYSA-N
6-METHOXY-3-METHYLSULFONYLBENZOIC ACID
A828096
2-Methoxy-5-(methylsulfonyl)benzoicacid
5-methanesulfonyl-2-methoxybenzoic acid
MFCD01317544

MDL Number

MFCD01317544

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 2-Methoxy-5-(methylsulfonyl)benzoic acid (CAS: 50390-76-6)?

2-Methoxy-5-(methylsulfonyl)benzoic acid is a white or off-white crystalline solid with a molecular weight of approximately 266.57 g/mol. It has a faint aromatic odor and a slightly bitter taste. The compound is soluble in organic solvents like ethanol and acetone, but less soluble in water. It exhibits weak acid properties and is reactive towards basic compounds. It is stable under normal conditions but should be stored in a cool, dry place away from strong bases and reducing agents.

How is 2-Methoxy-5-(methylsulfonyl)benzoic acid (CAS: 50390-76-6) typically synthesized?

2-Methoxy-5-(methylsulfonyl)benzoic acid is typically synthesized by the reaction of 5-(methylsulfonyl)benzoic acid with methanol in the presence of a suitable acid catalyst, such as hydrochloric acid or sulfuric acid. The reaction involves esterification, resulting in the formation of the methyl ester derivative. The yield is generally high, with selectivity towards the desired product. The process requires careful temperature control to ensure product purity.

What industries use 2-Methoxy-5-(methylsulfonyl)benzoic acid (CAS: 50390-76-6)?

2-Methoxy-5-(methylsulfonyl)benzoic acid is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. In the polymer industry, it may be used as a stabilizer or additive. Additionally, it has applications in the production of sensors and in semiconductor manufacturing, where it is used in etching processes. The compound's ability to form stable complexes with metal ions makes it valuable in these applications.

What precautions should be taken when handling 2-Methoxy-5-(methylsulfonyl)benzoic acid (CAS: 50390-76-6)?

When handling 2-Methoxy-5-(methylsulfonyl)benzoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place and away from strong bases and reducing agents. Fume hoods should be used during handling to minimize inhalation risks. In case of spillage, the area should be cleaned up using appropriate hygiene materials, and the spill should be reported to safety personnel. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.