1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether
(4-(trifluoromethoxy)phenyl)isothiocyanate
CAS: 64285-95-6
Molecular Formula: C8H4F3NOS
1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether - Names and Identifiers
| Name | (4-(trifluoromethoxy)phenyl)isothiocyanate |
| Synonyms | 4-(Trifluoromethoxy)phenyl isot 4-(Trifluoromethoxy)phenylisothiocyanate 4-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE (4-(trifluoromethoxy)phenyl)isothiocyanate Benzene,1-isothiocyanato-4-(trifluoromethoxy)- Isothiocyanic Acid 4-(Trifluoromethoxy)phenyl Ester 1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether |
| CAS | 64285-95-6 |
| EINECS | 628-314-9 |
| InChI | InChI=1/C8H4F3NO2S/c9-8(10,11)14-6-1-3-7(4-2-6)15-12-5-13/h1-4H |
| InChIKey | JKSZUQPHKOPVHF-UHFFFAOYSA-N |
1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether - Physico-chemical Properties
| Molecular Formula | C8H4F3NOS |
| Molar Mass | 219.18 |
| Density | 1.35g/mLat 25°C(lit.) |
| Boling Point | 215-218°C(lit.) |
| Flash Point | 225°F |
| Appearance | Liquid |
| Color | Colorless |
| Maximum wavelength(λmax) | 348nm(DMF)(lit.) |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.541(lit.) |
1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S23 - Do not breathe vapour. S20 - When using, do not eat or drink. |
| UN IDs | UN 1760 8/PG 2 |
| WGK Germany | 3 |
| HS Code | 29309090 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | II |
1-Isothiocyanato-4-(trifluoromethoxy)benzene, 4-Isothiocyanatophenyl trifluoromethyl ether - Introduction
Trifluoromethoxyphenyl isothiocyanate is an organic compound with a chemical formula of C9H4F3NOS and a molecular weight of 237.2g/mol. It is a colorless to pale yellow solid, soluble in organic solvents such as methylene chloride and anhydrous ethanol.
The compound can be used as a reagent in organic synthesis, and is often used to synthesize compounds with isothiocyanate groups. It can react as a substrate with other compounds to produce products with different properties. Due to the introduction of the trifluoromethoxy group, it has higher activity and special reactivity.
The method for preparing trifluoromethoxyphenyl isothiocyanate is usually obtained by reacting trifluoromethanol with phenyl isothiocyanate. First, phenyl isothiocyanate was dissolved in methylene chloride, then trifluoromethyl alcohol was added, and after the reaction, the product was precipitated from the solvent.
Regarding safety information, trifluoromethoxyphenyl isothiocyanate is generally relatively safe under normal operating conditions. However, since it is a chemical substance, it is still necessary to comply with safety regulations for handling and storage. Wear appropriate personal protective equipment to avoid contact with skin, eyes and respiratory tract. In addition, it should be stored in a dry, well-ventilated place, away from ignition and flammable substances.
It should be noted that the information provided above is for reference only. In actual use, the operation should be carried out according to the specific situation, and refer to the relevant safety data sheet and laboratory operation regulations.
The compound can be used as a reagent in organic synthesis, and is often used to synthesize compounds with isothiocyanate groups. It can react as a substrate with other compounds to produce products with different properties. Due to the introduction of the trifluoromethoxy group, it has higher activity and special reactivity.
The method for preparing trifluoromethoxyphenyl isothiocyanate is usually obtained by reacting trifluoromethanol with phenyl isothiocyanate. First, phenyl isothiocyanate was dissolved in methylene chloride, then trifluoromethyl alcohol was added, and after the reaction, the product was precipitated from the solvent.
Regarding safety information, trifluoromethoxyphenyl isothiocyanate is generally relatively safe under normal operating conditions. However, since it is a chemical substance, it is still necessary to comply with safety regulations for handling and storage. Wear appropriate personal protective equipment to avoid contact with skin, eyes and respiratory tract. In addition, it should be stored in a dry, well-ventilated place, away from ignition and flammable substances.
It should be noted that the information provided above is for reference only. In actual use, the operation should be carried out according to the specific situation, and refer to the relevant safety data sheet and laboratory operation regulations.
Last Update：2024-04-10 22:29:15
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