({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid

Basic Information

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CAS Number

85845-02-9

Molecular Formula

C9H8F3NO4S

Molecular Weight

283.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

148-149℃

SMILES

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C1=CC(=CC(=C1)S(=O)(=O)NCC(=O)O)C(F)(F)F

InChI

InChI=1S/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)

InChIKey

YSZHCOBVLXGMJQ-UHFFFAOYSA-N

LogP

1.0683

Topological Polar Surface Area

83.47 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

401

Synonyms & References

English

SB82088
AB01323113-02
2-[3-(Trifluoromethyl)phenylsulfonylamino]acetic acid
(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)ACETICACID
SCHEMBL745591
HMS1788G13
({[3-(trifluoromethyl)phenyl]sulfonyl}amino)acetic acid
DTXSID20351329
AKOS000117869
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic Acid
EN300-08381
N-[3-(Trifluoromethyl)phenylsulfonyl]glycine
85845-02-9
2-[3-(trifluoromethyl)benzenesulfonamido]acetic acid
(([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)AMINO)ACETIC ACID
Z45658563
MFCD03786832
2-(3-(trifluoromethyl)phenylsulfonamido)aceticacid
F1408-0322
Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-
NCGC00328013-01
2-(3-(trifluoromethyl)phenylsulfonamido)acetic acid
({[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}AMINO)ACETIC ACID
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid

MDL Number

MFCD03786832

Customs Code

2935009090

FAQ

What are the physical and chemical properties of ({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9)?

({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9) is a solid with a crystalline form. It has a molecular weight of approximately 316.08 g/mol. This compound is poorly soluble in water but soluble in organic solvents like dimethyl sulfoxide (DMSO). It is chemically stable but can react with strong bases to form sodium salts.

How is ({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9) typically synthesized?

({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9) is commonly synthesized via amidation of 3-(trifluoromethyl)phenyl sulfonyl chloride with 2-aminoacetic acid. The reaction is typically conducted in the presence of a base like triethylamine and a suitable solvent. The yield is generally good, and the product can be purified by recrystallization.

What industries use ({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9)?

({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the polymer industry for the production of functional polymers. Additionally, it is used in the development of sensors and in semiconductors for specific chemical functionalities.

What precautions should be taken when handling ({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9)?

When handling ({[3-(Trifluoromethyl)phenyl]sulfonyl}amino)acetic acid (CAS: 85845-02-9), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Spills should be cleaned up immediately, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal instructions. Storage should be in a cool, dry place away from incompatible materials.