129604-26-8
3-Chloro-4-(trifluoromethoxy)benzonitrile
CAS: 129604-26-8
Molecular Formula: C8H3ClF3NO
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.
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
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