4-(methylsulfanyl)benzoic acid

Basic Information

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CAS Number

13205-48-6

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

193.0 to 197.0 deg-C

Boiling Point

319ºC at 760 mmHg

Density

1.28 g/cm3

Flash Point

146.7ºC

SMILES

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

InChI

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

InChIKey

KWHCPERWLHBLOT-UHFFFAOYSA-N

LogP

2.1067

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

139

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

SY027522
AKOS000264501
NSC400301
FT-0616817
4-(Methylthio)benzoic acid
AC-16437
NSC-400301
NSC 400301
p-(Methylthio)benzoic acid
Z57989066
EN300-11674
J-513776
F2145-0977
4-methylsulfanyl-benzoic acid
13205-48-6
4-(Methylsulfanyl)benzoic acid
4-(methylthio)-benzoic acid
NS00015556
HMS1730C04
para-(Methylthio)-benzoic acid
EINECS 236-171-5
CS-0063816
FD7312
Benzoic acid, p-(methylthio)-
FT-0731960
Q4SWG87DXN
4-methylsulfanylbenzoic acid
Benzoic acid, 4-(methylthio)-
p-Methylmercaptobenzoic Acid
SCHEMBL27422
4-(methylthio) benzoic acid

MDL Number

MFCD00002555

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6)?

4-(Methylsulfanyl)benzoic acid (CAS: 13205-48-6) falls under various regulatory guidelines, including GHS classification for hazardous materials, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for its use in food additives and environmental releases. Proper handling and disposal methods must be followed to ensure safety and compliance.

Are there alternatives to 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6) in synthesis?

Alternative reagents for synthesizing compounds similar to 4-(methylsulfanyl)benzoic acid include 4-(ethylsulfanyl)benzoic acid and 4-(methylthio)benzoic acid. These analogs offer similar functional groups but with slight variations, making them viable substitutes in different synthetic pathways.

What is the market or research trend for 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6)?

The market for 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as a precursor in drug synthesis and as a fungicide. Price trends reflect increased demand in these sectors, with ongoing exploration of its environmental and biological properties.

How should waste containing 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6) be handled?

Waste containing 4-(methylsulfanyl)benzoic acid (CAS: 13205-48-6) should be collected in properly labeled containers and stored in a secure area. Incineration is a common disposal method, though professional waste disposal services are recommended to ensure compliance with environmental regulations. Precautions include minimizing exposure to air and water to prevent contamination.