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

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

Used in Chemical Synthesis:
4-Hydroxy-3-nitrobenzotrifluoride is used as a key intermediate in the synthesis of various organic compounds, particularly those with pharmaceutical or agrochemical applications. Its unique functional groups allow for further chemical reactions and modifications, leading to the creation of a wide range of products.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Hydroxy-3-nitrobenzotrifluoride is used as a building block for the development of new drugs. Its chemical structure can be modified to create molecules with specific biological activities, targeting various diseases and medical conditions.
Used in Agrochemical Industry:
4-Hydroxy-3-nitrobenzotrifluoride is also utilized in the agrochemical industry for the synthesis of novel compounds with pesticidal properties. Its unique structure can be tailored to target specific pests or pathogens, leading to the development of more effective and environmentally friendly agrochemicals.
Used in the Synthesis of 2-Methyl-2-[2-Nitro-4-(Trifluoromethyl)Phenoxy]Propionic Acid Ethyl Ester:
4-Hydroxy-3-nitrobenzotrifluoride is used as a starting material in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester, a compound with potential applications in various fields, including pharmaceuticals and materials science.

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

Downstream Products

• 26065-52-1 Cyclopropancarbonsaeure-2'-nitro-4'-trifluormethylphenylester 
• 851190-63-1 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester 
• 114997-91-0 2-chloro-5-(trifluoromethyl)benzo[d]oxazole 
• 13451-80-4 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol 
• 851190-71-1 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionamide 
• 851190-67-5 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid 
• 1204817-32-2 diisopropyl 2-nitro-4-(trifluoromethyl)phenyl phosphate 
• 1413929-78-8 C₁₅H₁₁ClF₃NO₃ 
• 1413929-98-2 C₂₃H₁₆Cl₂F₃NO₅ 
• 1413929-96-0 C₂₃H₁₆Cl₂F₃NO₅ 
• 1413929-87-9 C₁₅H₁₁ClF₃NO₂S 
• 1413929-94-8 C₁₅H₁₁ClF₃NO₂S 
• 1413929-61-9 C₁₅H₁₁ClF₃NO₃ 
• 143925-49-9 2-phenyl-5-(trifluoromethyl)benzo[d]oxazole 

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