129604-26-8

129604-26-8 - Names and Identifiers

Name	3-Chloro-4-(trifluoromethoxy)benzonitrile
Synonyms	NCR CG DOXFFF Chlorotrifluoromethoxybenzonitrile 3-Chloro-4-(trifluoromethoxy)benzonitrile benzonitrile, 3-chloro-4-(trifluoromethoxy)- Benzonitrile, 3-chloro-4-(trifluoromethoxy)-
CAS	129604-26-8
InChI	InChI=1/C8H3ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H

129604-26-8 - Physico-chemical Properties

Molecular Formula	C8H3ClF3NO
Molar Mass	221.56
Density	1.47±0.1 g/cm3(Predicted)
Melting Point	39-41°C
Boling Point	222.5±35.0 °C(Predicted)
Flash Point	88.4°C
Vapor Presure	0.101mmHg at 25°C
Appearance	White crystal
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.484
MDL	MFCD01631557

129604-26-8 - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S9 - Keep container in a well-ventilated place. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves.
UN IDs	UN3439
Hazard Class	6.1
Packing Group	III

129604-26-8 - Introduction

3-Chloro-4-(trifluoromethoxy) benzonitrile is an organic compound whose chemical formula is C8H4ClF3NO. The following is a description of its nature, use, formulation and safety information:

Nature:
-Appearance: Colorless to light yellow liquid or solid
-Melting point: approximately -25°C
-Boiling point: approximately 140°C
-Density: approx. 1.39g/cm³
-Solubility: Soluble in organic solvents such as ethanol, ether and ketones

Use:
-3-Chloro-4-(trifluoromethoxy) benzonitrile is an important organic synthesis intermediate, which is widely used in pharmaceutical, pesticide and chemical synthesis fields.
-In the pharmaceutical field, it can be used to synthesize antibiotics, anti-cancer drugs, anti-gout drugs, etc.
-In the field of pesticides, it can be used for synthetic pesticides, fungicides, etc.
-In the field of chemical synthesis, it can be used to synthesize target products of organic compounds.

Preparation Method:
3-Chloro-4-(trifluoromethoxy) benzonitrile is generally prepared by the following steps:
1. the reaction of p-phenol with thionyl chloride to generate p-phenol sulfoxide.
2. p-Phenol sulfoxide reacts with trifluoroformic acid to generate 3-chloro-4-(trifluoromethoxy) benzonitrile.

Safety Information:
-3-Chloro-4-(trifluoromethoxy) benzonitrile should avoid contact with oxygen and strong oxidants during storage and operation, which may cause fire or explosion.
-It is an irritating compound and should be rinsed with plenty of water immediately after contact with skin and eyes.
-During operation, appropriate protective measures should be taken, such as wearing protective glasses, gloves and protective clothing.

Last Update：2024-04-09 02:00:41