78831-81-9

Basic information

• Product Name: 2-BROMO-4 6-DIMETHYLPHENYL ISOCYANATE
• Synonyms: Benzene, 1-bromo-2-isocyanato-3,5-dimethyl- (9CI)
• CAS NO: 78831-81-9
• Molecular Formula: C₉H₈BrNO
• Molecular Weight: 226.06992
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 78831-81-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 261-262 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.39g/cm³
• Vapor Pressure: 0.00255mmHg at 25°C
• Refractive Index: n20/D 1.5750(lit.)
• CAS DataBase Reference: 2-BROMO-4 6-DIMETHYLPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4 6-DIMETHYLPHENYL ISOCYANATE(78831-81-9)
• EPA Substance Registry System: 2-BROMO-4 6-DIMETHYLPHENYL ISOCYANATE(78831-81-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 78831-81-9(Hazardous Substances Data)

Usage

General Description

2-Bromo-4,6-dimethylphenyl isocyanate is a chemical compound with the molecular formula C9H8BrNO. It is a highly reactive compound that is used as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and agricultural chemicals. 2-BROMO-4 6-DIMETHYLPHENYL ISOCYANATE is a potent and selective inhibitor of the protein kinases ERK5 and p38α, and has potential applications in the treatment of cancer and inflammatory diseases. Due to its reactivity and potential health hazards, proper handling and storage of 2-Bromo-4,6-dimethylphenyl isocyanate are essential to ensure safety in its use.

InChI:InChI=1/C9H8BrNO/c1-6-3-7(2)9(11-5-12)8(10)4-6/h3-4H,1-2H3

Upstream product

• 201230-82-2 carbon monoxide 
• 78831-77-3 6-bromo-2,4-dimethyl-1-nitrobenzene 

Downstream Products

• 1360571-34-1 (4R,5R,6S)-3-(2-bromo-4,6-dimethylphenyl-)-4-hydroxy-6-isobutyl-1,3-diazabicyclo[3.1.0]hexan-2-one 
• 1092065-39-8 C₂₉H₃₃BrN₄O₂ 

Relevant articles and documents

Die Carbonylierung aromatischer Nitroverbindungen zu Isocyanaten in Gegenwart von Palladiumverbindungen; Zur Reaktivitaet verschiedener Nitroaromaten bei der Carbonylierung unter milden Bedingungen

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