N-[3-(Trifluoromethyl)benzoyl]glycine

Basic Information

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CAS Number

17794-48-8

Molecular Formula

C10H8F3NO3

Molecular Weight

247.17 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

Physical State

White to Yellow Solid

Melting Point

134-138 °C

Boiling Point

401.7℃/760mmHg

SMILES

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

InChI

InChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-2-6(4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)

InChIKey

ZDGGJQMSELMHLK-UHFFFAOYSA-N

LogP

1.5197999999999998

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

304

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-{[(3-trifluoromethyl)benzoyl]amino}acetic acid
CINACALCET (M8-GLY)
3-Tfmh
SY044807
3-Trifluoromethyl-hippuric acid
{[3-(trifluoromethyl)benzoyl]amino}acetic acid
HMS1366N04
3-Trifluoromethylhippurate
2-(3-(trifluoromethyl)benzoyl)aminoacetic acid
UNII-3V73MQJ4RY
2-{[3-(trifluoromethyl)benzoyl]amino}acetic acid
MFCD00029782
3V73MQJ4RY
Glycine, N-[3-(trifluoromethyl)benzoyl]-
2-{[3-(trifluoromethyl)phenyl]formamido}acetic acid
AC-23337
(3-Trifluoromethyl-benzoylamino)acetic acid
N-(3-(TRIFLUOROMETHYL)BENZOYL)GLYCINE
CS-M0140
AKOS000124813
A3947
SCHEMBL613062
DTXSID00939008
17794-48-8
N-(3-trifluoromethylbenzoyl)aminoacetic acid
2-(3-(trifluoromethyl)benzamido)acetic acid
BCP28877
SMR000337992
Bionet2_000994
W-206250
((3-(TRIFLUOROMETHYL)BENZOYL)AMINO)ACETIC ACID

MDL Number

MFCD00029782

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8)?

N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8) is a white crystalline solid with a molecular weight of approximately 334.13 g/mol. It has a high solubility in organic solvents such as dichloromethane and methanol. The compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal storage conditions and does not decompose readily under normal laboratory conditions.

How is N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8) typically synthesized?

N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8) is typically synthesized via a multi-step process involving the condensation of glycine with 3-(trifluoromethyl)benzoic acid in the presence of a coupling reagent such as HATU and a base like DIPEA. The yield is around 85%, and the product is purified by column chromatography or recrystallization.

What industries use N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8)?

N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8) is primarily used in the pharmaceutical industry for the synthesis of certain bioactive compounds. It also finds applications in the polymer industry as a monomer for the development of specific polymers and in the sensor industry for its unique chemical properties.

What precautions should be taken when handling N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8)?

When handling N-[3-(Trifluoromethyl)benzoyl]glycine (CAS: 17794-48-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a laboratory coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. In the event of a spill, avoid direct contact and clean up with appropriate absorbent materials. Refer to the Material Safety Data Sheet (MSDS) for specific handling and disposal instructions.