1591-97-5

Basic information

• Product Name: 4-BROMO-3-METHYLPHENYL ISOCYANATE 98
• Synonyms: 4-BROMO-3-METHYLPHENYL ISOCYANATE 98;1-bromo-4-isocyanato-2-methylbenzene;1-bromo-4-isocyanato-2-methylbenzene(SALTDATA: FREE);512087_ALDRICH
• CAS NO: 1591-97-5
• Molecular Formula: BrC6H3(CH3)NCO
• Molecular Weight: 212.04
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 1591-97-5.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 245 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.507 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0094mmHg at 25°C
• Refractive Index: n20/D 1.584(lit.)
• CAS DataBase Reference: 4-BROMO-3-METHYLPHENYL ISOCYANATE 98(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-3-METHYLPHENYL ISOCYANATE 98(1591-97-5)
• EPA Substance Registry System: 4-BROMO-3-METHYLPHENYL ISOCYANATE 98(1591-97-5)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 1591-97-5(Hazardous Substances Data)

Usage

General Description

4-BROMO-3-METHYLPHENYL ISOCYANATE 98 is a chemical compound with a molecular formula of C8H6BrNO and a molecular weight of 215.04 g/mol. It is a highly pure form of the isocyanate with a purity of 98%. 4-BROMO-3-METHYLPHENYL ISOCYANATE 98 is commonly used in the synthesis of various pharmaceuticals and agrochemicals, as well as in the production of polyurethane polymers. It is known for its reactivity and ability to form strong covalent bonds, making it a valuable building block for the synthesis of diverse organic compounds. However, it should be handled and used with caution due to its potential health hazards and reactivity.

InChI:InChI=1/C8H6BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

Downstream Products

• 1459140-49-8 1-(3-methyl-4-(1H-pyrazol-4-yl)phenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea 
• 1459140-39-6 1-(4-bromo-3-methylphenyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl)urea 
• 1609464-69-8 C₂₃H₂₉BrN₄O₄