116965-16-3

Basic information

• Product Name: 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID
• Synonyms: 3NTF-BOA;3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID;4-(Trifluoromethyl)-3-nitrobenzoic acid;5-Carboxy-2-(trifluoromethyl)nitrobenzene, 4-Carboxy-2-nitrobenzotrifluoride
• CAS NO: 116965-16-3
• Molecular Formula: C8H4F3NO4
• Molecular Weight: 235.12
• Product Categories: Benzoic acid;Fluorine series
• Mol File: 116965-16-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 169°C
• Boiling Point: 330.003 °C at 760 mmHg
• Flash Point: 153.381 °C
• Appearance: white to light yellow crystal powder
• Density: 1.596
• Vapor Pressure: 104mmHg at 25°C
• Refractive Index: 1.432
• Storage Temp.: 2-8°C
• Solubility: Acetone (Slightly), Methanol (Slightly)
• PKA: 3.03±0.10(Predicted)
• CAS DataBase Reference: 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID(116965-16-3)
• EPA Substance Registry System: 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID(116965-16-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 116965-16-3(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

3-Nitro-4-trifluoromethylbenzoic Acid is useful intermediate for the preparation of trifluoromethylated (benzoxazolyl)actinocins.

InChI:InChI=1/C2HBr2F3/c3-1(5)2(4,6)7/h1H/t1-/m0/s1

Upstream product

• 455-18-5 4-CF₃C₆H₄CN 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 154057-13-3 4-methyl-2-nitro-1-(trifluoromethyl)benzene 
• 107-06-2 1,2-dichloro-ethane 

Downstream Products

• 372119-86-3 [3-nitro-4-(trifluoromethyl)phenyl]methanol 
• 125483-00-3 3-amino-4-(trifluoromethyl)benzoic acid 
• 126541-81-9 methyl 3-nitro-4-(trifluoromethyl)benzoate 
• 384-22-5 2-nitrobenzotrifluoride 
• 1034690-61-3 3-iodo-4-(trifluoromethyl)benzoic acid 
• 1048034-95-2 3-cyano-4-trifluoromethylbenzoic acid 
• 1116624-06-6 methyl 2-(3-nitro-4-(trifluoromethyl)phenyl)acetate 

Relevant articles and documents

2-nitro-4-trifluoromethyl-benzoic acid and preparation method of isomer thereof

The invention discloses a 2-nitro-4-trifluoromethyl-benzoic acid and a preparation method of an isomer thereof, belongs to the technical field of organic synthesis, and solves the problems that in theprior art, raw materials for preparing a 2-nitro-4-trifluoromethyl-benzoic acid and the isomer thereof are expensive and the yield is slightly low. In order to solve the problems, the invention provides the 2-nitro-4-trifluoromethyl-benzoic acid and the preparation method of the isomer thereof. The preparation method comprises the following steps: with 4-(trifluoromethyl)benzonitrile as a raw material, performing a one-step reaction under the effect of a nitrating agent to obtain the 2-nitro-4-trifluoromethyl-benzoic acid and a 3-nitro-4-trifluoromethyl-benzoic acid. The preparation method has the advantages that the 2-nitro-4-trifluoromethyl-benzoic acid and the isomer thereof can be obtained only through the one-step reaction, the operation is simple and convenient, the reaction steps are short, the yield is high, and the 2-nitro-4-trifluoromethyl-benzoic acid and the isomer thereof are suitable for industrialized production.

SUBSTITUTED PYRAZOLES, COMPOSITIONS AND USE

Substituted pyrazole compounds are angiotensin II antagonists and therefore useful in the treatment of hypertension, and related cardiovascular disorders and ocular hypertension. These compounds have the general formula I: STR1