133622-65-8

Basic information

• Product Name: 3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID
• Synonyms: 3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID;3-AMINO-2 5 6-TRIFLUOROBENZOIC ACID 98%;Benzoic acid, 3-amino-2,5,6-trifluoro- (9CI);3-Amino-2,5,6-trifluorobenzoicacid98%;2,3,6-Trifluoro-5-aminobenzoic acid
• CAS NO: 133622-65-8
• Molecular Formula: C₇H₄F₃NO₂
• Molecular Weight: 191.11
• Product Categories: AMINOACID;Benzoic acid
• Mol File: 133622-65-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 175-180 °C(lit.)
• Boiling Point: 320.726 °C at 760 mmHg
• Flash Point: 147.77 °C
• Appearance: White to light yellow crystal powder
• Density: 1.635 g/cm³
• Vapor Pressure: 0.000129mmHg at 25°C
• Storage Temp.: 2-8°C(protect from light)
• PKA: 1.14±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID(133622-65-8)
• EPA Substance Registry System: 3-AMINO-2,5,6-TRIFLUOROBENZOIC ACID(133622-65-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-37/39-26:37
• WGK Germany: 3
• Hazardous Substances Data: 133622-65-8(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powder

InChI:InChI=1/C7H4F3NO2/c8-2-1-3(11)6(10)4(5(2)9)7(12)13/h1H,11H2,(H,12,13)/p-1

Synthetic route

3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → (3-amino-2,5,6-trifluorophenyl)methanol (1296309-57-3)

Conditions	Yield
Stage #1: 3-amino-2,5,6-trifluoro benzoic acid With diborane In tetrahydrofuran at 0 - 20℃; for 18.3333h; Stage #2: With ammonium chloride In tetrahydrofuran; water	92%

pyridoxal 5'-phosphate (54-47-7) + 3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → 6-(3-Carboxy-2,4,5-trifluorophenylazo)-pyridoxal-5-phosphate (608523-81-5)

Conditions	Yield
	11%

AMI-1 (134-47-4) + 3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → C35H18F6N6O13S2

Conditions	Yield
Stage #1: 3-amino-2,5,6-trifluoro benzoic acid With sulfuric acid; sodium nitrite Diazotization; Stage #2: AMI-1 With sodium carbonate at 20℃; pH=9; azo coupling;

N,N-dimethyl acetamide (127-19-5) + 3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → 2,4,5-trifluoroaniline (367-34-0)

Conditions	Yield
In water

3-amino-2,5,6-trifluoro benzoic acid (133622-65-8) → (2,3,6-trifluoro-5-morpholinophenyl)methanol (1296309-58-4)

Conditions	Yield
Multi-step reaction with 2 steps 1: diborane / tetrahydrofuran / 18.33 h / 0 - 20 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 18 h / 80 °C View Scheme

Downstream Products

• 1296309-58-4 (2,3,6-trifluoro-5-morpholinophenyl)methanol 
• 367-34-0 2,4,5-trifluoroaniline 
• 608523-81-5 6-(3-Carboxy-2,4,5-trifluorophenylazo)-pyridoxal-5-phosphate 

Relevant articles and documents

Fluorobenzene derivatives

A compound of Formula (2): wherein: Y is -F or -Cl;, and a process for its preparation from a compound of Formula (3): wherein: Y is -F or -Cl; with a process for the preparation of a compound of Formula (3) from a compound of Formula (4): wherein: Y is -F or -Cl;, and a process for the conversion of a compound of Formula (2) into a compound of Formula (1): are provided. Compounds of Formula (1) are useful as intermediates in the manufacture of agrochemicals, pharmaceuticals and dyestuffs.