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4-(TRIFLUOROMETHOXY)BENZENEETHANOL, also known as 4-(Trifluoromethoxy)phenylethanol, is a colorless liquid chemical compound with the molecular formula C9H9F3O2. It possesses a pleasant, sweet odor and is widely recognized for its role as an intermediate in the production of pharmaceuticals and agrochemicals. This versatile compound is also utilized in the synthesis of other organic compounds, serving as a building block for the creation of more complex molecules. Due to its potential hazards, including harmful effects if ingested or inhaled, and its ability to cause skin and eye irritation, it is crucial to handle and store 4-(TRIFLUOROMETHOXY)BENZENEETHANOL with care in a cool, dry environment away from incompatible materials.

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  • 196811-90-2 Structure
  • Basic information

    1. Product Name: 4-(TRIFLUOROMETHOXY)BENZENEETHANOL
    2. Synonyms: 2-(4-(Trifluoromethoxy);2-(4-Trifluoromethoxyphenyl)ethanol, 4-(Trifluoromethoxy)benzeneethanol;2-[4-(TrifluoroMethoxyl)phenyl]ethanol;2-[4-(Trifluoromethoxy)phenyl]ethanol 98%
    3. CAS NO:196811-90-2
    4. Molecular Formula: C9H9F3O2
    5. Molecular Weight: 206.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 196811-90-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 83-86 °C/7.0 mmHg
    3. Flash Point: 78 °C
    4. Appearance: /
    5. Density: 1.2774 g/mL at 25 °C
    6. Vapor Pressure: 0.075mmHg at 25°C
    7. Refractive Index: 1.467
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 14.74±0.10(Predicted)
    11. CAS DataBase Reference: 4-(TRIFLUOROMETHOXY)BENZENEETHANOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(TRIFLUOROMETHOXY)BENZENEETHANOL(196811-90-2)
    13. EPA Substance Registry System: 4-(TRIFLUOROMETHOXY)BENZENEETHANOL(196811-90-2)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-43
    3. Safety Statements: 36/37
    4. RIDADR: UN 1993 / PGIII
    5. WGK Germany: 2
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 196811-90-2(Hazardous Substances Data)

196811-90-2 Usage

Uses

Used in Pharmaceutical Industry:
4-(TRIFLUOROMETHOXY)BENZENEETHANOL is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of complex molecular structures that possess therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(TRIFLUOROMETHOXY)BENZENEETHANOL is employed as an intermediate in the production of compounds that serve to protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
4-(TRIFLUOROMETHOXY)BENZENEETHANOL is utilized as a building block in organic synthesis for creating more intricate molecules that can be applied across different industries, including materials science and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 196811-90-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,6,8,1 and 1 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 196811-90:
(8*1)+(7*9)+(6*6)+(5*8)+(4*1)+(3*1)+(2*9)+(1*0)=172
172 % 10 = 2
So 196811-90-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H9F3O2/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2

196811-90-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[4-(Trifluoromethoxy)phenyl]ethanol

1.2 Other means of identification

Product number -
Other names 2-(4-Trifluoromethoxyphenyl)ethanol (4-(Trifluoromethoxy)benzeneethanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:196811-90-2 SDS

196811-90-2Relevant articles and documents

OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS

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Paragraph 0247-0250, (2018/06/12)

The invention relates to compounds of formula (I) and pharmaceutically acceptable salts thereof. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

3,3-DIFLUORO-PIPERIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS

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Paragraph 0245, (2016/09/22)

Disclosed are chemical entities of Formula (I): wherein X, Y, Z, R1, R3, R4 and R5 are defined herein, as NR2B subtype selective receptor antagonists. Also disclosed are pharmaceutical compositions comprising a chemical entity of Formula (I), and methods of treating various diseases and disorders associated with NR2B antagonism, e.g., diseases and disorders of the CNS, such as depression, by administering a chemical entity of Formula (I).

Continuous-flow synthesis of monoarylated acetaldehydes using aryldiazonium salts

Chernyak, Natalia,Buchwald, Stephen L.

, p. 12466 - 12469 (2012/09/05)

Anilines and ethyl vinyl ether can be used as precursors for a process that is the synthetic equivalent of the α-arylation of acetaldehyde enolate. The reaction manifests a high level of functional group compatibility, allowing the ready preparation of a number of synthetically valuable compounds.

4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS

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Page/Page column 51, (2010/08/08)

4-pyridone (4-pyridinone) derivatives of Formula (I) and pharmaceutically acceptable derivatives thereof, processes for their preparation, pharmaceutical formulations thereof and their use in chemotherapy of certain parasitic infections such as malaria, are provided.

2-, 3-, and 4-(Trifluoromethoxy)phenyllithiums: Versatile intermediates offering access to a variety of new organofluorine compounds

Castagnetti, Eva,Schlosser, Manfred

, p. 691 - 695 (2007/10/03)

Consecutive treatment of (trifluoromethoxy)benzene with sec-butyllithium and electrophilic reagents affords previously inaccessible ortho-substituted derivatives in generally excellent yields. 2-(Trifluoromethoxy)phenyllithium acts as the key intermediate. The 3- and 4-isomers can readily be generated from the corresponding 3- and 4-bromo precursors by halogen-metal interconversion with butyllithium or tertbutyllithium. Upon trapping of the 2-, 3- and 4-(trifluoromethoxy)phenyllithiums with 11 different electrophiles the expected products were formed in generally high yields. Only the attempted nucleophilic addition of 2-(trifluoromethoxy)phenyllithium to oxirane did not succeed. This failure is tentatively attributed to a lowering of the nucleophilicity by fluorine-lithium interactions. Conformationally restricted analogs - i.e., 2,2-difluoro-1,3-benzodioxol-4-phenyllithium and its 5-fluoro- and 5-bromo-substituted congeners - did indeed react smoothly with oxirane, affording the adducts in ordinary yields.

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