2-(4-Aminophenylthio)acetic Acid

Basic Information

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CAS Number

104-18-7

Molecular Formula

C8H9NO2S

Molecular Weight

183.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

197-203 °C

Boiling Point

405.3°Cat760mmHg

Density

1.35

Flash Point

198.9°C

Solubility

Soluble in methanol, acetone, toluene, n-octanol, acetonitrile, ethyl acetate, dichloromethane.

SMILES

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C1=CC(=CC=C1N)SCC(=O)O

InChI

InChI=1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)

InChIKey

CTPIHHXCACYCIV-UHFFFAOYSA-N

LogP

1.4455

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

155

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

NS00015762
MFCD00025360
S-(p-Aminophenyl)thioglycolic acid
NSC43555
(4-Aminophenylthio)acetic acid
F16048
S-(p-Aminophenyl)mercaptoacetic acid
2-(4-Aminophenylthio)acetic acid
p-Aminothiophenoxyacetic acid
p-Aminophenylmercaptoacetic acid
Acetic acid, [(4-aminophenyl)thio]-
FT-0608581
[(4-Aminophenyl)sulfanyl]acetic acid #
[(p-Aminophenyl)thio]acetic acid
4-(Aminophenylthio)acetic acid
AKOS005206813
2-((4-Aminophenyl)thio)aceticacid
(4-Aminophenylsulfanyl)ethanoic acid
2-(4-Aminophenylthio)acetic acid, >=98.0%
EN300-1168865
2-((4-Aminophenyl)thio)acetic acid
Acetic acid, ((4-aminophenyl)thio)-
Acetic acid, 2-[(4-aminophenyl)thio]-
6ZV6XHL9WA
AS-47758
EINECS 203-182-1
4-aminophenylsulfanylacetic acid
NSC-43555
2-[(4-aminophenyl)sulfanyl]acetic acid
Acetic acid, ((p-aminophenyl)thio)-
DTXSID50146205

MDL Number

MFCD00025360

FAQ

What are the physical and chemical properties of 2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7)?

2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7) is a white to light yellow crystalline solid. It has a molecular weight of approximately 194.23 g/mol and a molar mass of 194.23 g/mol. The compound is slightly soluble in water and has good solubility in organic solvents like methanol and ethanol. It is reactive towards bases and can undergo nucleophilic substitution reactions. It decomposes above 150°C.

How is 2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7) typically synthesized?

2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7) is typically synthesized through the reaction of 2-(4-hydroxyphenylthio)acetic acid with sodium hydride in an anhydrous solvent like dimethylformamide (DMF). The reaction yields the amine derivative with high selectivity and good yield. This process requires proper handling of bases and solvents.

What industries use 2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7)?

2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7) is used in the pharmaceutical industry for the synthesis of various drugs, particularly those requiring thioether functionalities. It is also utilized in the polymer industry for the modification of polymer properties and in sensor technology for its capability to bind specific analytes.

What precautions should be taken when handling 2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7)?

When handling 2-(4-Aminophenylthio)acetic Acid (CAS: 104-18-7), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood due to its potential for volatilization. Spills should be cleaned up with caution using appropriate absorbents, and the area should be ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.