400-99-7

Basic information

• Product Name: 4-Hydroxy-3-nitrobenzotrifluoride
• Synonyms: 2-NITRO-4-(TRIFLUOROMETHYL)PHENOL;4-HYDROXY-3-NITROBENZOTRIFLUORIDE;4-HYDROXY-3-NITROBENZOTRIFLUOROIDE;2-nitro-4-(trifluoromethyl)-pheno;2-nitro-alpha,alpha,alpha-trifluoro-p-creso;2-nitro-alpha,alpha,alpha-trifluoro-p-cresol;alpha,alpha,alpha-trifluoro-2-nitro-p-cresol;2-nitro-4-trifluoromethlphenol
• CAS NO: 400-99-7
• Molecular Formula: C₇H₄F₃NO₃
• Molecular Weight: 207.11
• EINECS: 206-927-9
• Product Categories: Phenol&Thiophenol&Mercaptan;Organic Building Blocks;Oxygen Compounds;Phenols
• Mol File: 400-99-7.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 92-94 °C12 mm Hg(lit.)
• Flash Point: 203 °F
• Appearance: Yellow to orange/Liquid
• Density: 1.473 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.157mmHg at 25°C
• Refractive Index: n20/D 1.504(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 5.53±0.14(Predicted)
• BRN: 2215510
• CAS DataBase Reference: 4-Hydroxy-3-nitrobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Hydroxy-3-nitrobenzotrifluoride(400-99-7)
• EPA Substance Registry System: 4-Hydroxy-3-nitrobenzotrifluoride(400-99-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• RTECS: GP2984950
• TSCA: T
• HazardClass: IRRITANT
• Hazardous Substances Data: 400-99-7(Hazardous Substances Data)

Usage

Uses

2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.

General Description

2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.

Safety Profile

Moderately toxic byintraperitoneal route. When heated to decomposition itemits toxic vapors of NOx and Fí.

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

Upstream product

• 400-98-6 4-trifluoromethyl-2-nitroaniline 
• 402-45-9 4-hydroxybenzotrifluoride 
• 109-86-4 2-methoxy-ethanol 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 139-07-1 zephirol 

Downstream Products

• 454-81-9 2-amino-4-(trifluoromethyl)phenol 
• 213685-32-6 N-(2,6-diisopropylphenyl)-6-((5-(trifluoromethyl)benzo[d]oxazol-2-yl)thio)hexanamide 
• 143925-49-9 2-phenyl-5-(trifluoromethyl)benzo[d]oxazole 
• 870194-59-5 1-but-2-ynyloxy-2-nitro-4-trifluoromethyl-benzene 
• 27139-87-3 2-{4-[3-(7-trifluoromethyl-11H-dibenzo[b,e][1,4]oxazepin-5-yl)-propyl]-piperazin-1-yl}-ethanol 
• 20844-69-3 5-trifluoromethyl-benzooxazol-2-ylamine 
• 19420-46-3 (2-hydroxy-5-trifluoromethyl-phenyl)-thiourea 
• 19420-45-2 2-Amino-4-trifluormethylphenyl ethylcarbonat 
• 14733-68-7 5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one 
• 19420-42-9 3-(N,N-Dimethyl-3-propylamin)-5-trifluormethyl-2-benzoxazolinon 
• 1019-52-9 4-hydroxy-3,5-dinitrobenzoic acid 
• 851190-67-5 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid 
• 851190-71-1 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionamide 
• 919283-27-5 (3-chloro-4-{5-methyl-4-[2-(2-nitro-4-trifluoromethyl-phenoxy)-ethylcarbamoyl]-isoxazol-3-yl}-phenyl)-acetic acid methyl ester 

Relevant articles and documents

HMOX1 inducers

The present invention is related to compounds of structure (I) as heme oxygenase 1 (HMOX 1) inducers. The present invention is also related a method of controlling the activity or the amount, or both the activity and the amount, of heme-oxygenase 1 in a mammalian subject. The definitions of the variables are provided herein.

Synthesis and in vitro antimycobacterial and isocitrate lyase inhibition properties of novel 2-methoxy-2′-hydroxybenzanilides, their thioxo analogues and benzoxazoles

A new series of 2-methoxy-2′-hydroxybenzanilide derivatives and their thioxo analogues have been synthesised and characterised by IR, NMR and elemental analysis. These compounds were investigated for their in vitro antimycobacterial activities against Mycobacterium tuberculosis 331/88, Mycobacterium avium 330/88, Mycobacterium kansasii 235/80, clinically isolated M. kansasii 6509/96 and the ability to act as in vitro isocitrate lyase inhibitors. The best ICL inhibitors were two compounds from the thiobenzanilide group (8f, 8m), which exhibited an inhibition potential that was equal to the standard compound, 3-nitropropionic acid. In addition, the best antimycobacterial properties were exhibited by benzanilide derivatives 6h, 6k and 6l with 5-Cl and 4′ or 5′ Cl/Br substitution. For all the thiobenzanilide derivatives tested, two conformers were observed in the NMR spectra, which is most likely due to the hindered rotation of the C-N bond.

Syntheses and bioactivity of o- or p-trifluoromethylphenyl phosphates

o- and p-Trifluoromethylphenyl phosphates designed as mechanism-based phosphotyrosine phosphatase inactivators have been prepared. Some of them show herbicidal activities.