89976-12-5

Basic information

• Product Name: 2-METHYL-5-NITROBENZOTRIFLUORIDE
• Synonyms: 2-METHYL-5-NITROBENZOTRIFLUORIDE;4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE;3-TrifluoroMethyl-4-Methylnitrobenzene;4-Nitro-2-(trifluoromethyl)toluene, 4-Methyl-3-(trifluoromethyl)nitrobenzene;Benzene,1-Methyl-4-nitro-2-(trifluoroMethyl)-;2-Methyl-5-nitrobenzotrifluoride, 97+%;4-nitro-2-trifluorotoluene
• CAS NO: 89976-12-5
• Molecular Formula: C₈H₆F₃NO₂
• Molecular Weight: 205.13
• EINECS: 1592732-453-0
• Product Categories: Fluorine series
• Mol File: 89976-12-5.mol

Chemical Properties

• Melting Point: 34-35 °C
• Boiling Point: 220.459 °C at 760 mmHg
• Flash Point: 87.131 °C
• Appearance: Off-white/Solid
• Density: 1.358 g/cm³
• Vapor Pressure: 0.167mmHg at 25°C
• Refractive Index: 1.476
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility: Slightly soluble in water.
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 2-METHYL-5-NITROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-5-NITROBENZOTRIFLUORIDE(89976-12-5)
• EPA Substance Registry System: 2-METHYL-5-NITROBENZOTRIFLUORIDE(89976-12-5)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36/37/39
• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 89976-12-5(Hazardous Substances Data)

Usage

Chemical Properties

light yellow or crystalline

InChI:InChI=1/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3

Upstream product

• 1813-24-7 5-methyl-2-nitro-4-triflouromethyl-phenylamine 
• 823-96-1 Trimethylboroxine 
• 777-37-7 4-chloro-3-(trifluoromethyl)nitrobenzene 
• 13630-19-8 2-methylbenzotrifluoride 
• 18018-35-4 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene 
• 13630-15-4 1-Chlor-3-methyl-4-trichlormethyl-benzol 
• 13630-22-3 4-chloro-2-methyl-1-(trifluoromethyl)benzene 
• 3274-12-2 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one 
• 7745-93-9 2-bromo-4-nitrotoluene 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 367-67-9 2-bromo-5-nitro-benzotrifluoride 

Downstream Products

• 320-37-6 4-nitro-2-(trifluoromethyl)benzoic acid 
• 248602-12-2 5-Methyl-6-trifluoromethylindole 
• 694499-22-4 1-(bromomethyl)-4-nitro-2-(trifluoromethyl) benzene 
• 943320-63-6 [(R)-1-(4-amino-2-trifluoromethyl-benzyl)-pyrrolidin-3-yl]-dimethyl-amine 
• 943320-50-1 3-iodo-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide 
• 943320-62-5 dimethyl-[(R)-1-(4-nitro-2-trifluoromethyl-benzyl)-pyrrolidin-3-yl]-amine 
• 859027-32-0 4-(4-nitro-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester 
• 859027-30-8 4-(4-amino-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester 
• 943320-72-7 C₂₅H₂₉F₃IN₃O₃ 
• 1232836-37-1 3-iodo-4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide 
• 65934-74-9 3-(trifluoromethyl)-4-methylaniline 

Relevant articles and documents

AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF

The present invention provides aminopyrimidine compounds of formula (I) and their salts, wherein R1, R2, R3, R4, R5, R6, Q, Z, L, m, n are defined as the description, the methods for preparation thereof, the uses thereof and the pharmaceutical compositions comprising the effective amount of compounds of formula (I). The compounds of formula (I) and their salts can be used as protein kinase inhibitors.

B-alkyl suzuki-miyaura cross-coupling reactions with air-stable potassium alkyltrifluoroborates

The palladium-catalyzed cross-coupling reaction of substituted potassium alkyltrifluoroborates with aryl halides and aryl triflates proceeds readily with moderate to good yields. The potassium alkyltrifluoroborates 1, 2, and 3a-e were easily synthesized and obtained as air-stable crystalline solids that can be stored for long periods of time. All of the cross-couplings proceed under the same reaction conditions using PdCl2(dppf)·CH2cl2 as catalyst in THF-H2O in the presence of 3 equiv of Cs2CO3 as base.

Practical methylation of aryl halides by Suzuki-Miyaura coupling

A number of aryl halides (X = Cl, Br, I) can be converted to the corresponding toluenes in an operationally simple manner using trimethylboroxine (TMB) as a partner for palladium-catalysed Suzuki-Miyaura coupling. (C) 2000 Elsevier Science Ltd.