367-64-6

Basic information

• Product Name: N-BUTYL TRIFLUOROACETATE
• Synonyms: Acetic acid, trifluoro-, butyl ester;aceticacid,trifluoro-,butylester;CF3C(O)O(CH2)3CH3;ethanoicacid,trifluoro-,butylester;Trifluoroacetic acid, n-butyl ester;trifluoro-aceticacidbutylester;1-BUTYL TRIFLUOROACETATE;BUTYL TRIFLUOROACETATE
• CAS NO: 367-64-6
• Molecular Formula: C₆H₉F₃O₂
• Molecular Weight: 170.13
• EINECS: 206-699-0
• Mol File: 367-64-6.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 15°C
• Appearance: /
• Density: 1.027
• Refractive Index: 1.353
• CAS DataBase Reference: N-BUTYL TRIFLUOROACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: N-BUTYL TRIFLUOROACETATE(367-64-6)
• EPA Substance Registry System: N-BUTYL TRIFLUOROACETATE(367-64-6)

Safety Data

• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-23-45-36/37/39-26
• RIDADR: 3272
• HazardClass: FLAMMABLE
• Hazardous Substances Data: 367-64-6(Hazardous Substances Data)

Usage

General Description

N-BUTYL TRIFLUOROACETATE is a chemical compound with the molecular formula C6H11F3O2. It is a colorless, volatile liquid that is commonly used as a solvent in various industrial processes, including in the production of perfumes and other fragrance products. It has a fruity odor and is flammable, making it important to handle with caution. N-BUTYL TRIFLUOROACETATE is also used as an intermediate in the synthesis of other chemical compounds and can be found in some cleaning and degreasing products. It is important to follow safety guidelines when handling this chemical, as it can be harmful if inhaled or ingested, and can cause skin and eye irritation.

InChI:InChI=1/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3

Upstream product

• 407-25-0 trifluoroacetic anhydride 
• 71-36-3 butan-1-ol 
• 347-89-7 benzoic trifluoroacetic anhydride 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 76-05-1 trifluoroacetic acid 
• 928-45-0 butyl nitrate 
• 106-97-8 n-butane 
• 1126-80-3 (n-butylthio)benzene 
• 16668-99-8 bis(phenyl)iodonium trifluoroacetate 
• 201230-82-2 carbon monoxide 
• 400-53-3 trimethylsilyl trifluoroacetate 
• 5593-70-4 titanium (IV) butoxide 
• 628-81-9 butyl ethyl ether 
• 61550-02-5 (furan-2-yloxy)-trimethylsilane 

Downstream Products

• 142-96-1 dibutyl ether 
• 75-89-8 2,2,2-trifluoroethanol 
• 71-36-3 butan-1-ol 
• 7387-69-1 N-benzyl-2,2,2-trifluoroacetamide 
• 356-46-7 3-trifluoromethyl-pentan-3-ol 
• 431-36-7 1,1,1-trifluoro-2-butanol 
• 7332-00-5 n-butylazide 

Relevant articles and documents

Catalytic oxidation of hydrocarbons of natural and oil gas

Alkane oxidation by O2 and CO in the presence of Rh-, Pd-, and Pt-containing catalytic systems leads to the product of C-H bond oxidation and the products of C-C bond oxidative destruction. A deuterated methyl group in acetic acid is observed in the oxidation of n-propane in a deuterium-donor medium. The possible mechanisms of alkane C2-C4 conversion are proposed.

Activation of the disulfide bond and chalcogen-chalcogen interactions: An experimental (FTICR) and computational study

Dimethyldisulfide (I) is the simplest model of the biologically relevant family of disubstituted disulfides. The experimental study of its gas-phase protonation has provided, we believe for the first time, a precise value of its gas-phase basicity. This value agrees within 1 kJmol-1 with the results of G3 calculations. Also obtained for the first time was the reaction rate constant for the bimolecular reaction between I and its protonated form, IH+, to yield methanethiol and a dimethyldithiosulfonium ion. This constant is of the order of magnitude of the collision limit. A computational mechanistic study based on the energetic profile of the reaction, completed with Fukui's and Bader's treatments of the reactants and transition states fully rationalizes the regioselectivity of the reaction as well as the existence of a shallow, flat Gibbs energy surface for the reaction. The mechanistic relevance of the chalcogen-chalcogen interaction and the C-H...S bonds has been demonstrated.