2,3,6-TRIFLUOROBENZOIC ACID

CAS No.：2358-29-4

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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2,3,6-TRIFLUOROBENZOIC ACID Basic information

Product Name:	2,3,6-TRIFLUOROBENZOIC ACID
Synonyms:	RARECHEM AL BO 0267;2,3,6-TRIFLUOROBENZOIC ACID;2,3,6-Trifluorobenzoic acid 98%;2,3,6-Trifluorobenzoicacid98%;2,3,6-Trilfuorobenzoic acid;2,5,6-Trifluorobenzoic acid;2,3,6-Trifluorobenzo;2,3,6-TrifL
CAS:	2358-29-4
MF:	C7H3F3O2
MW:	176.09
EINECS:
Product Categories:	Thiophenes;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Miscellaneous;C7;Carbonyl Compounds;Carboxylic Acids
Mol File:	2358-29-4.mol

2,3,6-TRIFLUOROBENZOIC ACID Chemical Properties

Melting point	130-131 °C (lit.)
Boiling point	233.5±35.0 °C(Predicted)
density	1.536±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
form	powder to crystal
pka	2.00±0.10(Predicted)
color	White to Almost white
BRN	2579153
CAS DataBase Reference	2358-29-4(CAS DataBase Reference)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39-36
WGK Germany	3
Hazard Note	Irritant
HS Code	29163990

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

2,3,6-TRIFLUOROBENZOIC ACID Usage And Synthesis

Chemical Properties	white to light yellow crystal powder
Uses	2,3,6-Trifluorobenzoic acid is a trifluorinated analogue of Benzoic acid (B203900). 2,3,6-Trifluorobenzoic acid is a very useful synthetic intermediate that is commonly used to prepare inhibitors of malaria aspartyl proteases Plasmepsin I and II.
General Description	Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.

2,3,6-TRIFLUOROBENZOIC ACID Preparation Products And Raw materials

Raw materials	Tetrahydrofuran-->n-Butyllithium-->CARBON DIOXIDE-->1,2,4-Trifluorobenzene
Preparation Products	3-Fluorobenzoic acid

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