3038-47-9

Basic information

• Product Name: 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE
• Synonyms: 1-(2-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE;2-(TRIFLUOROMETHYL)PHENYLACETONITRILE;2-(TRIFLUOROMETHYL)BENZYL CYANIDE;O-TRIFLUOROMETHYLBENZYL CYANIDE;TIMTEC-BB SBB006647;Benzeneacetonitrile, 2-(trifluoromethyl)-;o-Trifluoromethylphenylacetonitrile;2-(TRIFLUOROMETHYL)PHENYLACETONITRILE, 9 8%
• CAS NO: 3038-47-9
• Molecular Formula: C₉H₆F₃N
• Molecular Weight: 185.15
• EINECS: 221-239-9
• Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Fluorine series
• Mol File: 3038-47-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 32-35 °C(lit.)
• Boiling Point: 92°C 11mm
• Flash Point: 193 °F
• Appearance: off-white low melting crystalline solid
• Density: 1.2863 (estimate)
• Vapor Pressure: 0.168mmHg at 25°C
• Refractive Index: 1.4630
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 910055
• CAS DataBase Reference: 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE(3038-47-9)
• EPA Substance Registry System: 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE(3038-47-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-28-36/37/39
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 3038-47-9(Hazardous Substances Data)

Usage

Chemical Properties

off-white low melting crystalline solid

Uses

Different sources of media describe the Uses of 3038-47-9 differently. You can refer to the following data:
1. 2-(Trifluoromethyl)-benzeneacetonitrile was used to prepare non-peptide CCR1 receptor antagonists. It was also used to synthesize cyclopentimidazopyridinone and related compounds as interleukin-6 inhibitors.
2. 2-(Trifluoromethyl)phenylacetonitrile was used in the facile synthesis of 1,2,3,4-tetrasubstituted naphthalenes via the condensation reaction with aromatic acetonitriles under basic conditions.

InChI:InChI=1/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2

Upstream product

• 151-50-8 potassium cyanide 
• 21742-00-7 2-(trifluoromethyl)benzyl chloride 
• 395-44-8 o-trifluoromethylbenzyl bromide 
• 773837-37-9 sodium cyanide 
• 395-47-1 [2-(trifluoromethyl)phenyl]magnesium bromide 
• 346-06-5 (2-(trifluoromethyl)phenyl)methanol 

Downstream Products

• 634465-94-4 tert-butyl 4-cyano-4-[2-(trifluoromethyl)phenyl]-1-piperidinecarboxylate 
• 29786-52-5 1-(2-(trifluoromethyl)phenyl)cyclobutane-1-carboxamide 
• 29786-63-8 <1-(α,α,α-Trifluor-o-tolyl)-cyclobutyl>-carbonylisocyanat 
• 29770-38-5 (<1-(α,α,α-Trifluor-o-tolyl)-cyclobutyl>-carbonyl)-harnstoff 
• 29786-22-9 (<1-(α,α,α-Trifluoro-o-tolyl)cyclobutyl>carbonyl)carbamsaeuremethylester 
• 29786-27-4 (<1-(α,α,α-Trifluoro-o-tolyl)cyclobutyl>carbonyl)carbamsaeureethylester 
• 1318756-98-7 1-methyl-N-{4-methyl-2-[2-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}-1H-pyrazole-5-carboxamide 
• 1318758-10-9 2-[2-(trifluoromethyl)phenyl]ethanethioamide 
• 1318758-11-0 ethyl 4-methyl-2-[2-(trifluoromethyl)benzyl]-1,3-thiazole-5-carboxylate 
• 1318758-12-1 4-methyl-2-[2-(trifluoromethyl)benzyl]-1,3-thiazole-5-carboxylic acid 
• 1318758-13-2 tert-butyl {4-methyl-2-[2-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}carbamate 
• 191328-19-5 4-cyano-4-(2-trifluoromethylphenyl)piperidine 

Relevant articles and documents

17a-HYDROXYLASE/C17,20-LYASE INHIBITORS

The present invention provides compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R1, R2, R3, R4, R5, R6, A and n are as defined herein. A deuteriated derivative of the compound of Formula (I) is also provided.

Anthranilic acid derivatives as inhibitors of the cGMP-phosphodiesterase

Compounds of formula (I) STR1where R 1 is hydrogen; R 2 is nitro, cyano or halo(lower)alkyl; R 3 is phenyl substituted with one or more substituents selected from halogen, cyano and lower alkoxy; A is a lower alkylene group; R 4 is a group CR 6 R 7 R 8 wherein R 6 and R 7 form, together with the carbon atom to which they are attached a cycloalkyl group optionally substituted with hydroxy, lower alkoxy or a lower alkanoylamino; and R 8 is hydrogen; its prodrug and a salt thereof.

(Substituted-phenyl)-1,2,4-triazolo[4,3-a]-pyrimidines and (substituted-phenyl)-1,2,4-triazolo[1,5-a]pyrimidines

This disclosure describes substituted 1,2,4-triazolo[1,5-a]pyrimidines and substituted 1,2,4-triazolo[4,3-a]pyrimidines which possess anxiolytic activity.