101646-02-0

Basic information

• Product Name: 3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE
• Synonyms: TIMTEC-BB SBB010013;3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE;3-Chloro-5-nitro-alpha,alpha,alpha,4-tetrafluorotoluene;3-chloro-5-nitro-à,à,à,4-tetrafluorotoluene;3-Chloro-4-fluoro-5-nitrobenzotrifluoride 99%;1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene
• CAS NO: 101646-02-0
• Molecular Formula: C₇H₂ClF₄NO₂
• Molecular Weight: 243.54
• Product Categories: Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7;Chemical Synthesis;Fluorinated Building Blocks;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 101646-02-0.mol

Chemical Properties

• Boiling Point: 200 °C(lit.)
• Flash Point: 113 °C
• Appearance: /
• Density: 1.607 g/mL at 25 °C(lit.)
• Refractive Index: 1.482
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 5436538
• CAS DataBase Reference: 3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE(101646-02-0)
• EPA Substance Registry System: 3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE(101646-02-0)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37/39-45-36-26
• RIDADR: 2306
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 101646-02-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-fluoro-5-nitrobenzotrifluoride is used as a pyrolyl-tRNA synthetase inhibitor for the development of drugs targeting abnormal intracellular signaling pathways. Its ability to inhibit these pathways makes it a potential candidate for treating various diseases, including nervous and mental disorders and inflammatory diseases, that are caused by such abnormalities.
Used in Research Applications:
3-Chloro-4-fluoro-5-nitrobenzotrifluoride can be used as a research tool to study the mechanisms of action of pyrolyl-tRNA synthetase inhibitors and their effects on cellular processes. This can help in understanding the role of these enzymes in disease development and progression, as well as in the discovery of new therapeutic targets and drug candidates.

Upstream product

• 657-02-3 3,4-dichloro-α,α,α-trifluoro-5-nitro toluene 

Downstream Products

• 145323-45-1 [(2-Chloro-6-nitro-4-trifluoromethyl-phenyl)-methyl-amino]-acetic acid 
• 145323-43-9 N-(6-chloro-2-nitro-4-trifluoromethylphenyl)sarcosine ethyl ester 
• 57729-79-0 2-chloro-6-nitro-4-(trifluoromethyl)aniline 
• 191847-73-1 N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]glycine methyl ester 
• 191847-82-2 4-chloro-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one 
• 132915-80-1 1,2-diamino-3-chloro-5-(trifluoromethyl)benzene 
• 145323-42-8 N-(6-chloro-2-nitro-4-trifluoromethylphenyl)sarcosine methyl ester 
• 145323-59-7 2,2'-diamino-3,3'-dichloro-5,5'-bis(trifluoromethyl)azoxybenzene 
• 126538-85-0 3-amino-5-chloro-4-fluoro-trifluoromethylbenzene 
• 958489-40-2 (2R)-3-(2-amino-6-chloro-4-trifluoromethylphenylsulfanyl)-2-tert-butoxycarbonylaminopropionic acid 

Relevant articles and documents

1-phenyl-6-one-pyrimidine derivatives

A compound of formula (I): STR1 wherein R1 and R2 are independently selected from hydrogen, halogen, haloalkyl, alkoxy or nitro, provided that R1 and R2 are not both nitro; R3 and R4 are independently selected from hydrogen, halogen, alkyl or cycloalkyl; R5 is halogen, nitro, haloalkyl, haloalkoxy or --S(O)n R10 ; R6 is halogen, nitro, haloalkyl, haloalkoxy or --S(O)n R10 ; R7 is hydrogen, halogen, hydroxyalkyl, cyano, nitro, alkoxy, --S(O)n R10, NR11 R12, haloalkyl or formyl; R8 is hydrogen, halogen, NR11 R12, alkyl, cycloalkyl or S(O)n R10 ; and R9 is oxygen or sulphur; where n is 0, 1 or 2; and R10 is alkyl, haloalkyl or cycloalkyl; and R11 and R12 are independently selected from hydrogen, alkyl or cycloalkyl or R11 and R12 together with the nitrogen to which they are attached form a heterocyclic group; provided that when R5 is trifluoromethyl at least one of the following applies: (i) R1 or R2 is haloalkyl or alkoxy; (ii) R3 or R4 are alkyl or cycloalkyl; (iii) R6 is haloalkoxy, nitro or --S(O)n R10 ; (iv) R7 is nitro, hydroxyakyl, alkoxy, S(O)n R10, NR11 R12, formyl or haloalkyl; (v) R8 is other than hydrogen; (vi) R9 is sulphur; and further provided that (a) R1, R2, R3 and R4 are not all fluorine and (b) when R5 is chlorine, R1 and R2 are both halogen.

3-chloro-4-fluoro-5-nitrobenzotrifluoride

Chloro-aromatic compounds of the formula STR1 wherein R is CF3, OCF3, OC2 F5, CN, NCO, or COCl, m is 0, 1 or 2; n is 0, 1 or 2; q is 1 or 2; q+m+n is less than 6; and when q is 1, m is 2; are prepared by the vapor phase chloro-denitration reaction of a chlorinating agent with a nitro-aromatic compound of the formula STR2 where R, m, n and q are as defined above.