132740-44-4

Basic information

• Product Name: 2-FLUOROBENZYL ISOCYANATE
• Synonyms: 2-FLUOROBENZYL ISOCYANATE;2-(Isocyanatomethyl)fluorobenzene;1-fluoro-2-(isocyanatoMethyl)benzene;2-Fluorobenzyl isocyanate 97%
• CAS NO: 132740-44-4
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7-C8;Chemical Synthesis;Fluorinated Building Blocks;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 132740-44-4.mol

Chemical Properties

• Boiling Point: 202 °C(lit.)
• Flash Point: 195 °F
• Appearance: /
• Density: 1.18 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.331mmHg at 25°C
• Refractive Index: n20/D 1.505(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-FLUOROBENZYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUOROBENZYL ISOCYANATE(132740-44-4)
• EPA Substance Registry System: 2-FLUOROBENZYL ISOCYANATE(132740-44-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 132740-44-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Fluorobenzyl isocyanate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its reactivity allows for the formation of diverse drug molecules, contributing to the development of new medications for treating various diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Fluorobenzyl isocyanate serves as an essential intermediate for the production of pesticides and other crop protection agents. Its incorporation into these compounds helps enhance their effectiveness in controlling pests and diseases, thereby improving crop yields and quality.

InChI:InChI=1/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 89-99-6 2-fluorobenzylamine 

Relevant articles and documents

Amide compound, pharmaceutical composition, preparation method and application thereof

The invention provides an amide compound, a pharmaceutical composition, a preparation method and application thereof and belongs to the field of medicine. Structure of the amide compound is shown as aformula I. The preparation method includes: in an alkaline condition and in an organic solvent, allowing a compound I and a compound II to be in condensation reaction. The amide compound or pharmaceutically acceptable salt thereof have long-acting sensory and/or motion blocking activity, can be used for preparing long-acting local anesthetic or analgesic and is long in efficacy lasting time, little side effect and high in medication safety.

Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors

A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e.g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis.