3-(methylsulfanyl)benzoic acid

Basic Information

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CAS Number

825-99-0

Molecular Formula

C8H8O2S

Molecular Weight

168.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

126.0 to 130.0 deg-C

Boiling Point

321.5°C at 760 mmHg

SMILES

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CSC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

PZGADOOBMVLBJE-UHFFFAOYSA-N

LogP

2.1067

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

147

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-Methylthio Benzoic Acid
3-(Methylthio)benzoic acid, 97%
Benzoic acid, m-methylmercapto-
825-99-0
M1853
SCHEMBL659462
NSC2937
J-510899
FD7334
NSC-2937
3-Methanesulfanylbenzoic acid
3-BROMO-N-HYDROXYBENZENECARBOXYMIDOYLCHLORIDE
DTXSID60277574
3-(Methylsulfanyl)benzoic acid
3-Methylsulfanyl-benzoic acid
EN300-124826
3-(Methylsulfanyl)benzoic acid #
OVP
A864376
3-(Methylthio)benzoic acid
9F9KVQ2KQE
AMY15150
AC-16447
FT-0649517
3-(methylthio) benzoic acid
Benzoic acid, 3-(methylthio)-
F2182-0138
Z1201631828
InChI=1/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
3-methylsulfanylbenzoic acid
3-Mercaptobenzoic acid S-methyl ether

MDL Number

MFCD00156993

FAQ

What is 3-(methylsulfanyl)benzoic acid (CAS: 825-99-0)?

3-(methylsulfanyl)benzoic acid is a compound with the formula C9H10O2S. It is a white crystalline solid with a characteristic odor. The compound is soluble in water and ethanol. It is used in the pharmaceutical and chemical industry for the synthesis of various compounds and in research applications.

What are the main uses of 3-(methylsulfanyl)benzoic acid (CAS: 825-99-0)?

3-(methylsulfanyl)benzoic acid is primarily used in the pharmaceutical industry for the production of intermediates and APIs. It also has applications in the chemical industry for the synthesis of other compounds. Additionally, it is used in research for its analytical properties and as a reagent in various chemical reactions.

Is 3-(methylsulfanyl)benzoic acid (CAS: 825-99-0) safe?

3-(methylsulfanyl)benzoic acid is generally safe when handled with appropriate safety measures. However, it is recommended to wear gloves and protective eyewear during handling. Ensure the area is well-ventilated and avoid inhalation of dust or fumes. In case of skin contact, wash immediately with water.

How should 3-(methylsulfanyl)benzoic acid (CAS: 825-99-0) be stored?

3-(methylsulfanyl)benzoic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. Maintain a temperature below 25°C and a relative humidity below 60%. Store in a tightly sealed container to prevent moisture absorption. Keep out of reach of children and ensure proper labeling.