454-63-7

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL
• Synonyms: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL;3-(TRIFLUOROMETHYL)CYCLOHEXANOL, CIS/TRANS;cis,trans-3-(Trifluoromethyl)cyclohexanol;3-(Trifluoromethyl)cyclohexanol,cis/trans97%;3-(TRIFLUOROMETHYL)CYCLOHEXANOL (CIS/TRANS MIXTURE);3-(trifluoromethyl)cyclohexan-1-ol;3-(Trifluoromethyl)cyclohexanol, cis/transDISC;3-(Trifluoromethyl)cyclohexanol, cis/trans 97%
• CAS NO: 454-63-7
• Molecular Formula: C₇H₁₁F₃O
• Molecular Weight: 168.16
• Mol File: 454-63-7.mol

Chemical Properties

• Boiling Point: 160℃
• Flash Point: 69℃
• Appearance: /
• Density: 1.231
• PKA: 14.80±0.40(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL(454-63-7)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL(454-63-7)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36
• RIDADR: 1993
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 454-63-7(Hazardous Substances Data)

Usage

Uses

Used in Agrochemical Industry:
3-(Trifluoromethyl)cyclohexanol is used as an intermediate in the synthesis of fungicides for controlling harmful phytopathogenic fungi. Its chemical structure allows it to effectively target and inhibit the growth of fungi that can cause significant damage to crops, thereby protecting agricultural yields and ensuring food security.

Upstream product

• 98-17-9 3-Trifluoromethylphenol 
• 32654-38-9 3-trifluoromethyltrifluoroacetoxycyclohexane 
• 401-75-2 trifluoromethylcyclohexane 
• 585-36-4 3-(trifluoromethyl)cyclohexanone 

Downstream Products

• 585-36-4 3-(trifluoromethyl)cyclohexanone 
• 39746-42-4 1-methyl-4-(6,6,6-trifluoro-3-hexyenyl)benzene 
• 702692-51-1 C₄₄H₅₈F₃N₃O₈ 
• 702689-73-4 (S,S)-6-(4-amino-butyl)-3-naphthalen-2-ylmethyl-1-[4-(3-trifluoromethyl-cyclohexyloxy)-benzyl]-piperazine-2,5-dione hydrochloride 

Relevant articles and documents

The Stereoselective Reductions of Ketones to the Most Thermodynamically Stable Alcohols Using Lithium and Hydrated Salts of Common Transition Metals

A simple method is presented for the highly stereoselective reductions of ketones to the most thermodynamically stable alcohols. In this procedure, the ketone is treated with lithium dispersion and either FeCl2·4H2O or CuCl2·2H2O in THF at room temperature. This protocol is applied to a large number and variety of ketones and is both more convenient and efficient than those commonly reported for the diastereoselective reduction of five- and six-membered cyclic ketones.

Trifluoromethylcyclohexane as a new solvent? Limits of use

Reactivity and stability of trifluoromethylcyclohexane (TFMC) has been investigated towards various reagents, in order to evaluate its possible use as solvent. TFMC is stable in most oxidizing conditions, indicating the protective effect of a fluoroalkyl substituent towards oxidation, and surprisingly, it is also very stable towards strong bases. TFMC has also been assessed as a chlorinated solvent substitute in some reactions. It is clearly adapted as a CCl4 substitute in allylic bromination reaction.

Trifluoromethyl derivatives of cyclohexanol and cyclohexanone and their reactions

The catalytic hydrogenation of mono- and bistrifluoromethylphenols was investigated, and the structure of the obtained trifluoromethylcyclohexanols was established.Methods were developed for the production of trifluoromethyl derivatives of caprolactam and adipic acid.