71119-75-0

Basic information

• Product Name: 2 5-DIMETHYLPHENYL ISOCYANIDE 95
• Synonyms: 2 5-DIMETHYLPHENYL ISOCYANIDE 95%;Benzene, 2-isocyano-1,4-dimethyl- (9CI);2 5-DIMETHYLPHENYL ISOCYANIDE 95;2-isocyano-1,4-dimethylbenzene
• CAS NO: 71119-75-0
• Molecular Formula: C₉H₉N
• Molecular Weight: 131.17446
• Product Categories: ISONITRITE
• Mol File: 71119-75-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 87.5-90 °C/12 mmHg(lit.)
• Flash Point: 3 °C
• Appearance: /
• Density: 0.943 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.1570(lit.)
• CAS DataBase Reference: 2 5-DIMETHYLPHENYL ISOCYANIDE 95(CAS DataBase Reference)
• NIST Chemistry Reference: 2 5-DIMETHYLPHENYL ISOCYANIDE 95(71119-75-0)
• EPA Substance Registry System: 2 5-DIMETHYLPHENYL ISOCYANIDE 95(71119-75-0)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36/37/38
• Safety Statements: 16-26-36
• RIDADR: UN 1993 3/PG 2
• Hazardous Substances Data: 71119-75-0(Hazardous Substances Data)

Usage

Molecular structure

Consists of a phenyl ring with two methyl groups attached and an isocyanide functional group.

Usage

Commonly used as a building block in organic synthesis and pharmaceutical research.

Reactivity

Has the potential to undergo various chemical reactions with other compounds.

Odor

Known for its strong odor.

Toxicity

Is toxic and can cause irritation.

Safety protocols

It is important to follow proper safety protocols to avoid potential health risks associated with exposure.

Upstream product

• 10113-40-3 N-(2,5-dimethylphenyl)formamide 
• 95-78-3 2,5-Dimethylaniline 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 1176990-90-1 ethyl 2-(2-isocyano-4-methylphenyl)acetate 
• 1224234-77-8 2-(2,5-dimethylphenylimino)-3-phenylimino-2,3-dihydrobenzofuran 

Relevant articles and documents

Design, synthesis and anticancer evaluation of 3-methyl-1H-indazole derivatives as novel selective bromodomain-containing protein 4 inhibitors

Bromodomain-containing Protein 4 (BRD4), an ‘epigenetic reader’, regulates chromatin structure and gene expression via recognizing and binding acetylated lysine in histones. BRD4 has become a therapeutic target for cancers because it promotes the expression of the tumor genes, such as c-Myc, NF-κB, and Bcl-2. In this study, a new series of 3-methyl-1H-indazole derivatives were designed via virtual screening and structure-based optimization. All compounds were synthesized and evaluated for their inhibitory activities to BRD4-BD1 and their antiproliferative effects in cancer cell lines. Among them, several compounds (such as 9d, 9u and 9w) exhibited strong BRD4-BD1 affinities and inhibition activities, and potently suppressed MV4;11 cancer cell line proliferation. Among them, compound 9d showed excellent selectivity for BRD4 and effectively suppressed c-Myc, the downstream protein of BRD4. This study provided new lead compounds for further biological evaluation on BRD4.