400-76-0

Basic information

• Product Name: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid
• Synonyms: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid;3-Trifluoromethyl-4-AminoBenzoicAcid;4-Amino-5-trifluoromethylbenzoic Acid;4-AMino-α,α,α-trifluoro-M-toluic Acid
• CAS NO: 400-76-0
• Molecular Formula: C₈H₆F₃NO₂
• Molecular Weight: 205.13
• EINECS: 1592732-453-0
• Product Categories: Benzoic acid;Amines;Aromatics;Miscellaneous Reagents;Fluorine series
• Mol File: 400-76-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 204-206°C
• Boiling Point: 319.1 °C at 760 mmHg
• Flash Point: 146.8 °C
• Appearance: White solid
• Density: 1.489
• Storage Temp.: Refrigerator
• Solubility: DMSO, Methaniol
• PKA: 4.43±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid(400-76-0)
• EPA Substance Registry System: 4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid(400-76-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 400-76-0(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/2C8H6F3NO2/c2*9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h2*1-3H,12H2,(H,13,14)

Upstream product

• 320-36-5 4-nitro-3-trifluoromethylbenzonitrile 
• 688020-69-1 ethyl 4-amino-3-(trifluoromethyl)benzoate 
• 88-17-5 2-(trifluoromethyl)benzenamine 
• 97760-97-9 4-iodo-2-(trifluoromethyl)aniline 
• 175277-96-0 N-(4-cyano-2-(trifluoromethyl)phenyl)acetamide 
• 320-38-7 4-nitro-3-(trifluoromethyl)benzoic acid 
• 97760-98-0 N-(4-iodo-2-(trifluoromethyl)phenyl)acetamide 

Downstream Products

• 95656-52-3 4-amino-3-chloro-5-(trifluoromethyl)benzoic acid 
• 97776-05-1 4-amino-3-bromo-5-trifluoromethyl-benzoic acid 
• 1137870-14-4 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-trifluoromethyl-benzoic acid 
• 1254943-75-3 C₁₅H₁₂F₃N₃O₃ 
• 2102411-83-4 8-(trifluoromethyl)quinoline-6-carboxylic acid 
• 167760-75-0 methyl 4-amino-3-(trifluoromethyl)benzoate 
• 153304-64-4 4-Methylamino-3-trifluoromethylbenzoic Acid 
• 97804-09-6 diethyl 2-(4-amino-3-bromo-5-trifluoromethyl-benzoyl)-malonate 
• 97776-04-0 diethyl 2-(4-amino-3-chloro-5-trifluoromethyl-benzoyl)-malonate 
• 63498-20-4 4-amino-3-bromo-5-trifluoromethyl-benzoyl chloride 
• 63498-15-7 4-amino-3-chloro-5-trifluoromethyl-benzoyl chloride 
• 194809-24-0 (2S,4R)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-trifluoromethyl-benzoylamino}-4-fluoro-pentanedioic acid diisopropyl ester 
• 194809-26-2 (2S,4S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-3-trifluoromethyl-benzoylamino}-4-fluoro-pentanedioic acid diisopropyl ester 
• 914636-20-7 4-iodo-3-(trifluoromethyl)benzoic acid 

Relevant articles and documents

HYDRAZONE COMPOUNDS AND THEIR USE

The present invention relates to hydrazone compounds of Formula I: (I) and pharmaceutically acceptable salts and stereoisomers thereof, wherein R1, R2, R3, R4, L1, and L2 are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula I as inhibitors of TRPM5 protein.

Synthesis of further amino-halogen-substituted phenyl-aminoethanols

Starting from clenbuterol as a lead structure, new 4-amino-phenyl-aminoethanol analogues have been synthesized by different approaches. In these compounds one or both of the chlorine atoms of clenbuterol are replaced by other residues. This has led to compounds with high intrinsic β2-mimetic and/or β1-blocking activities. 1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-ethanol hydrochloride (mabuterol) has been selected for clinical development. A detailed description is also given of the syntheses of new intermediate acetophenone derivatives as well as of the resolution of mabuterol into its enantiomers.