101513-77-3

Basic information

• Product Name: 3-Chloro-2,4,5-trifluorobenzoic acid
• Synonyms: 3-Chloro-2,4,5-trifluorobenzoic acid,98%;3-Carboxy-2,5,6-trifluorochlorobenzene;TIMTEC-BB SBB003448;2,4,5-TRIFLUORO-3-CHLOROBENZOIC ACID;3-CHLORO-2,4,5-TRIFLUOROBENZOIC ACID;3-Chloro-2,4,5-Trilfuorobenzoic acid;2,4,5-trifluoro-3-chlorobenzoic acid and derivatives;2,4,5-TRIFLUORO-3-CHLOROBENZOIC ACID AND THE DERIVATIVES
• CAS NO: 101513-77-3
• Molecular Formula: C₇H₂ClF₃O₂
• Molecular Weight: 210.54
• EINECS: 1533716-785-6
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Heterocyclic Compounds;C7;Carbonyl Compounds;Carboxylic Acids
• Mol File: 101513-77-3.mol
• Article Data: 7

Chemical Properties

• Melting Point: 112-116 °C(lit.)
• Boiling Point: 272℃
• Flash Point: 118°(244°F)
• Appearance: white to light yellow powder
• Density: 1.663 g/cm³
• Vapor Pressure: 0.00306mmHg at 25°C
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.50±0.10(Predicted)
• CAS DataBase Reference: 3-Chloro-2,4,5-trifluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chloro-2,4,5-trifluorobenzoic acid(101513-77-3)
• EPA Substance Registry System: 3-Chloro-2,4,5-trifluorobenzoic acid(101513-77-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-R36/37/38
• Safety Statements: 37/39-26-26 37/39-36-S37/39-S26-24/25
• WGK Germany: 3
• Hazardous Substances Data: 101513-77-3(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow powder

Uses

3-Chloro-2,4,5-trifluorobenzoic Acid is a useful synthetic intermediate. It can be used to synthesize 3-hydroxyquinazoline-2,4-diones as antibacterial agents.

InChI:InChI=1/C7H2ClF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)/p-1

Upstream product

• 119385-80-7 3-amino-2,4,5-trifluorobenzoic acid 
• 446-17-3 2,4,5-trifluorobenzoic acid 
• 1835-65-0 Tetrafluorophthalonitrile 
• 39153-73-6 2-chloro-1,3,4-trifluorobenzene 
• 42096-74-2 1,2,4-trifluoro-3-nitrobenzene 
• 367-23-7 1,2,4-trifluorobenzene 

Downstream Products

• 111230-48-9 3-chloro-2,4,5-trifluoro-6-nitrobenzoic acid 
• 761404-23-3 N-tert-butoxy-3-chloro-2,4,5-trifluoro-benzamide 
• 101513-78-4 3-Chloro-2,4,5-trifluorobenzoyl chloride 
• 101987-86-4 ethyl β-(3-chloro-2,4,5-trifluorophenyl)-β-oxopropionate 
• 111244-25-8 ethyl 2-(3-chloro-2,4,5-trifluoro-6-nitro-benzoyl)-3-ethoxyacrylate 

Relevant articles and documents

Novel C-7 carbon substituted fourth generation fluoroquinolones targeting N. Gonorrhoeae infections

Delafloxacin, a fourth-generation anionic fluoroquinolone (FQ) was approved in 2019 for community acquired bacterial pneumonia (CARP). It has broad spectrum activity and an improved class-related toxicity profile. However, it has recently failed a Phase 3

A 2, 4, 5 - trifluoro -3 - chlorobenzoic acid preparation method

The invention discloses a 2, 4, 5 - trifluoro - 3 - chlorobenzoic acid preparation method, which belongs to the chemical pharmaceutical intermediates preparation method technical field, the use of 1, 2, 4, - trifluorobenzene as raw materials, by nitration, chloro, re-nitration, reduction, diazotization, cyanide Sandmeyer reaction and hydrolysis reaction for preparing 2, 4, 5 - trifluoro - 3 - chlorobenzoic acid. The method of the invention, the raw materials using relatively inexpensive and easy to obtain, the process route is mature, the operation is simple, high yield, and has high industrial value.

2,3,4,5-tetrahalogenobenzene derivatives

2,3,4,5-trihalogenobenzene derivatives of the formula STR1 in which R is --COOH, --COCl, --COF, --CN, --CONH2, --CH2 OH, --CH2 Cl, --CHCl2, --CCl3 or --CHO, R1 is H, Cl or F, and R2 is Cl or F, it only being possible for R1 or R2 to be F, and processes for their preparation starting from benzonitriles reacted with potassium fluoride. The novel compounds are intermediates for antibacterials such as quinolone carboxylic acids.