4-isocyanatobenzo[c][1,2,5]thiadiazole

4-isocyanatobenzo[c][1,2,5]thiadiazole - Names and Identifiers

Name	2,1,3-benzothiadiazol-4-yl isocyanate
Synonyms	4-isocyanato-2,1,3-benzothiadiazole 4-ISOCYANATO-2,1,3-BENZOTHIADIAZOLE 1,2,3-Benzothiadiazol-4-ylisocyanate 2,1,3-BENZOTHIADIAZOL-4-YL ISOCYANATE 2,1,3-Benzothiadiazol-4-yl isoxyanate 2,1,3-Benzothiadiazole, 4-isocyanato- 2,1,3-benzothiadiazol-4-yl isocyanate 4-isocyanatobenzo[c][1,2,5]thiadiazole 2,1,3-Benzothiadiazole,4-isocyanato-(9CI)
CAS	342411-14-7
EINECS	604-604-1
InChI	InChI=1/C7H3N3OS/c11-4-8-5-2-1-3-6-7(5)10-12-9-6/h1-3H

4-isocyanatobenzo[c][1,2,5]thiadiazole - Physico-chemical Properties

Molecular Formula	C7H3N3OS
Molar Mass	177.18
Density	1.55g/cm³
Melting Point	81 °C
Boling Point	268.1°C at 760 mmHg
Flash Point	115.9°C
Vapor Presure	0.00786mmHg at 25°C
Storage Condition	2-8℃
Refractive Index	1.772

4-isocyanatobenzo[c][1,2,5]thiadiazole - 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. R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin. R22 - Harmful if swallowed
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S39 - Wear eye / face protection.
Hazard Note	Toxic

4-isocyanatobenzo[c][1,2,5]thiadiazole - Introduction

2,1, isocyanate is an organic compound with the chemical formula C8H3N3OS. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: 2,1, isocyanate is a light yellow to yellow crystal.
-Solubility: It is soluble in some organic solvents, such as chloroform, dimethylformamide and acetone.
-Melting point: The melting point of the compound is 68-70°C.
-It is more sensitive to air and light.

Use:
- 2,1, isocyanate is widely used in the pharmaceutical and agricultural fields. In pharmaceuticals, it can be used as an intermediate for the synthesis of drugs, for the synthesis of some anti-tumor, anti-viral and antibacterial drugs. In agriculture, it can be used as a raw material for pesticides and fungicides.

Preparation Method:
- 2,1, isocyanate can be synthesized by the following steps: First, 2-aminophenylthiophenol and chloroformic acid are reacted to produce [N-(2-nitrophenyl) carbamic acid, and then It is acylated with chlorocarboxylic anhydride to obtain 2,1, 3-benzothiazol-4-one. Finally, 2,1, 3-benzothiazol-4-one and isocyanate are reacted to form the final 2,1, isocyanate.

Safety Information:
- 2,1, isocyanate is an organic compound and requires protective measures such as gloves, goggles and protective clothing.
-It may be irritating to the eyes, skin and respiratory tract, so avoid contact during use.
-If you have accidental inhalation or exposure, you should immediately go to a ventilated area and seek medical help.
-Please follow the correct handling and storage methods to avoid reaction with other chemicals.

Please note: The above information is for reference only. Please refer to the safety data sheet and operation manual of the relevant chemical for specific use.

Last Update：2024-04-09 21:01:54