713-65-5

Basic information

• Product Name: 4-(Trifluoromethoxy)nitrobenzene
• Synonyms: TIMTEC-BB SBB001666;P-NITRO (TRIFLUOROMETHOXY) BENZENE;4-(TRIFLUOROMETHOXY)NITROBENZENE;4-NITRO-1-TRIFLUOROMETHOXYBENZENE;1-NITRO-4-(TRIFLUOROMETHOXY)BENZENE;4-nitrotrifluoromethoxybenzene;p-Nitro (Trifluoromethoxy) Benzene 4-(Trifluoromethoxy)nitrobenzene;4-(trifluoromrthoxy)nitrobebzene
• CAS NO: 713-65-5
• Molecular Formula: C₇H₄F₃NO₃
• Molecular Weight: 207.11
• EINECS: -0
• Mol File: 713-65-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 15°C
• Boiling Point: 87 °C
• Flash Point: 87-89°C/15mm
• Appearance: /
• Density: 1,447 g/cm3
• Vapor Pressure: 0.196mmHg at 25°C
• Refractive Index: 1.467
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Not miscible or difficult to mix in water.
• BRN: 1966388
• CAS DataBase Reference: 4-(Trifluoromethoxy)nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethoxy)nitrobenzene(713-65-5)
• EPA Substance Registry System: 4-(Trifluoromethoxy)nitrobenzene(713-65-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37-23
• HazardClass: IRRITANT
• Hazardous Substances Data: 713-65-5(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow liquid

Uses

1-Nitro-4-(trifluoromethoxy)benzene can be used to manufacture tobacco flavor.

InChI:InChI=1/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

Upstream product

• 456-55-3 1-trifluoromethoxybenzene 
• 1394827-04-3 potassium (4-(trifluoromethoxy)phenyl)trifluoroborate 
• 57830-55-4 2-((trifluoromethyl)sulfonyl)pyridine 
• 98-95-3 nitrobenzene 
• 927-84-4 bis(trifluoromethyl)peroxide 
• 139301-27-2 4-trifluoromethoxyphenylboronic acid 
• 2070902-77-9 trifluoromethyl 4-fluorobenzene-1-sulfonate 
• 100-01-6 4-nitro-aniline 
• 34888-05-6 (trichloromethoxy)benzene 
• 100-66-3 methoxybenzene 
• 100-02-7 4-nitro-phenol 

Downstream Products

• 461-82-5 4-(trifluoromethoxy)aniline 
• 22172-64-1 3-Phenyl-5-trifluormethoxy-anthranil 

Relevant articles and documents

Method for synthesizing nitro (hetero) aromatic hydrocarbon

The invention discloses a method for synthesizing nitro (hetero) aromatic hydrocarbon, and belongs to the field of organic synthesis. According to the method, simple (hetero) aromatic hydrocarbon is taken as an initial raw material and is stirred and reacted in an organic solvent at 40-100 DEG C under the action of a nitration reagent, a lewis acid catalyst and protective gas, and nitro (hetero) aromatic hydrocarbon can be obtained. The method provided by the invention has the advantages of cheap and easily available raw materials, mild reaction conditions, simple preparation process, good chemical selectivity, wide substrate application range, easy amplification and the like, has great application potential, and lays a good foundation for industrial production.

Radical C?H Trifluoromethoxylation of (Hetero)arenes with Bis(trifluoromethyl)peroxide

Trifluoromethoxylated (hetero)arenes are of great interest for several disciplines, especially in agro- and medicinal chemistry. Radical C?H trifluoromethoxylation of (hetero)arenes represents an attractive approach to prepare such compounds, but the high cost and low atom economy of existing .OCF3 radical sources make them unsuitable for the large-scale synthesis of trifluoromethoxylated building blocks. Herein, we introduce bis(trifluoromethyl)peroxide (BTMP, CF3OOCF3) as a practical and efficient trifluoromethoxylating reagent that is easily accessible from inexpensive bulk chemicals. Using either visible light photoredox or TEMPO catalysis, trifluoromethoxylated arenes could be prepared in good yields under mild conditions directly from unactivated aromatics. Moreover, TEMPO catalysis allowed for the one-step synthesis of valuable pyridine derivatives, which have been previously prepared via multi-step approaches.

NITRATION

The present invention relates to a process for preparing a nitrated compound, comprising the step of reacting a compound (A) comprising at least one substituted or unsubstituted aromatic or heteroaromatic ring, wherein said heteroaromatic ring comprises at least one heteroatom selected from the group consisting of oxygen, sulfur, phosphor, selenium and nitrogen, with a compound of formula (I) wherein Y is selected from the group consisting of hydrogen and nitro.