[(Difluoromethyl)sulfanyl]acetic acid

Basic Information

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CAS Number

83494-32-0

Molecular Formula

C3H4F2O2S

Molecular Weight

142.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

SMILES

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C(C(=O)O)SC(F)F

InChI

InChI=1S/C3H4F2O2S/c4-3(5)8-1-2(6)7/h3H,1H2,(H,6,7)

InChIKey

PUMOZGHFFIXBHD-UHFFFAOYSA-N

LogP

1.0268000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

85.4

Synonyms & References

English

AKOS009075845
DIFLUOROMETHYLSULFANYL-ACETIC ACID
C3H4F2O2S
AC9774
Difluoromethylthio acetic acid
CS-0240100
2-(difluoromethylsulfanyl)acetic acid
2-[(difluoromethyl)thio]Acetic acid
2-[(difluoromethyl)sulfanyl]acetic acid
SCHEMBL4655762
PUMOZGHFFIXBHD-UHFFFAOYSA-N
FT-0657830
EN300-22483
Difluoromethylthioacetic acid
SY172606
DIFLUOROMETHYLTHIOACETIC ACID POTASSIUM SALT
2-(difluoromethylthio)acetic acid
83494-32-0
BCP19125
DIFLUOROMETHYLTHIO ACETIC ACID-
Difluoromethylthioacetic Acid Potassium Salt
2-?[(difluoromethyl)?thio]?Acetic acid
Difluoromethylthioacetatic acid potassium salt
Aceticacid, [(difluoromethyl)thio]- (9CI)
(Difluoromethylthio)acetic acid
2-[(Difluoromethyl)thio]acetic acid

MDL Number

MFCD04972823

Customs Code

2930909090

FAQ

What are the physical and chemical properties of [(Difluoromethyl)sulfanyl]acetic acid (CAS: 83494-32-0)?

[(Difluoromethyl)sulfanyl]acetic acid is a colorless to white crystalline solid. Its molecular weight is approximately 144.02 g/mol. It has a melting point around 115-117°C and is poorly soluble in water but soluble in organic solvents like ethanol. It is reactive towards nucleophiles and can undergo substitution reactions. The compound is not flammable but should be handled with caution due to its reactivity.

How is [(Difluoromethyl)sulfanyl]acetic acid (CAS: 83494-32-0) typically synthesized?

[(Difluoromethyl)sulfanyl]acetic acid is typically synthesized via the reaction of acetic anhydride with a difluoromethylthio alcohol. This process involves careful control of reaction conditions to achieve high yield and selectivity. Commonly used solvents include dichloromethane or acetonitrile, and the reaction is often catalyzed by a strong base like triethylamine.

What industries use [(Difluoromethyl)sulfanyl]acetic acid (CAS: 83494-32-0)?

This compound is used in various industries such as pharmaceuticals, where it serves as a building block for synthetic drug molecules. It also finds applications in the production of polymers and as a reagent in analytical chemistry for sensor development. Additionally, it is utilized in semiconductor manufacturing due to its reactivity and specific functional group.

What precautions should be taken when handling [(Difluoromethyl)sulfanyl]acetic acid (CAS: 83494-32-0)?

When handling [(Difluoromethyl)sulfanyl]acetic acid, proper personal protective equipment (PPE) should be worn, including gloves, eye protection, and a lab coat. The compound should be used in a well-ventilated area or in a fume hood to avoid inhalation of vapors. Spills should be handled with caution using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.