54879-20-8

Basic information

• Product Name: 2-BROMO-3-METHYLANILINE 98
• Synonyms: 2-BROMO-3-METHYLANILINE 98;3-Amino-2-bromotoluene;2-broMo-3-MethylbenzenaMine;BenzenaMine, 2-broMo-3-Methyl-;2-BroMo-3-Methylaniline, 97+%;2-BROMO-3-METHYLANILIN
• CAS NO: 54879-20-8
• Molecular Formula: C₇H₈BrN
• Molecular Weight: 186.051
• Product Categories: Anilines, Amides & Amines;Bromine Compounds;Amines;C7;Nitrogen Compounds
• Mol File: 54879-20-8.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 48 °C0.03 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Pale brown/Liquid
• Density: 1.489 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0298mmHg at 25°C
• Refractive Index: n20/D 1.605(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.66±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-3-METHYLANILINE 98(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-3-METHYLANILINE 98(54879-20-8)
• EPA Substance Registry System: 2-BROMO-3-METHYLANILINE 98(54879-20-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-43-36/37/38-20/21/22
• Safety Statements: 36/37-60-26-23-9
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: 6.1
• Hazardous Substances Data: 54879-20-8(Hazardous Substances Data)

Usage

General Description

2-Bromo-3-methylaniline 98 is a chemical compound with the molecular formula C7H8BrN. It is a derivative of aniline with a bromine atom attached to the 2 position and a methyl group attached to the 3 position of the aromatic ring. 2-BROMO-3-METHYLANILINE 98 is commonly used in organic synthesis as a starting material for the preparation of various pharmaceuticals, agrochemicals, and dyes. It is also used as an intermediate in the production of fine chemicals and as a reagent in the synthesis of heterocyclic compounds. 2-Bromo-3-methylaniline 98 is a colorless to light brown liquid with a strong odor and it should be handled and stored with proper care due to its potentially hazardous nature.

InChI:InChI=1/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3

Upstream product

• 59907-22-1 N-(2-methyl-6-nitrophenyl)acetamide 
• 570-24-1 2-Methyl-6-nitroaniline 
• 108-44-1 1-amino-3-methylbenzene 
• 53663-39-1 3-methyl-2-bromobenzoic acid 
• 41085-43-2 2-bromo-3-nitrotoluene 

Downstream Products

• 98203-08-8 8-bromo-7-methylquinoline 
• 888214-21-9 1-bromo-6-iodo-2-methylbenzene 

Relevant articles and documents

Design, Synthesis, and Evaluation of o-(Biphenyl-3-ylmethoxy)nitrophenyl Derivatives as PD-1/PD-L1 Inhibitors with Potent Anticancer Efficacy in Vivo

Two series of novel o-(biphenyl-3-ylmethoxy)nitrophenyl compounds (A1-31 and B1-17) were designed as programmed cell death protein 1 (PD-1)/PD-ligand 1 (PD-L1) inhibitors. All compounds showed significant inhibitory activity with IC50 values ranging from 2.7 to 87.4 nM except compound A17, and compound B2 displayed the best activity. Further experiments showed that B2 bound to the PD-L1 protein without obvious toxicity in Lewis lung carcinoma (LLC) cells. Furthermore, B2 significantly promoted interferon-gamma secretion in a dose-dependent manner in vitro and in vivo. Especially, B2 exhibited potent in vivo anticancer efficacy in an LLC-bearing allograft mouse model at a low dose of 5 mg/kg, which was more active than BMS-1018 (tumor growth inhibition rate: 48.5% vs 17.8%). A panel of immunohistochemistry and flow cytometry assays demonstrated that B2 effectively counteracted PD-1-induced immunosuppression in the tumor microenvironment, thereby triggering antitumor immunity. These results indicate that B2 is a promising PD-1/PD-L1 inhibitor worthy of further development.

Nitrophenyl ether compounds, and preparation methods, pharmaceutical compositions and application thereof

The invention discloses nitrophenyl ether compounds, and preparation methods, pharmaceutical compositions and application thereof, belonging to the field of medicines. The invention particularly relates to the nitrophenyl ether compounds with structural c

Utilization of a Hydrogen Source from Renewable Lignocellulosic Biomass for Hydrogenation of Nitroarenes

Exploring of hydrogen source from renewable biomass, such as glucose in alkaline solution, for hydrogenation reactions had been studied since 1860s. According to proposed pathway, only small part of hydrogen source in glucose was utilized. Herein, the utilization of a hydrogen source from renewable lignocellulosic biomass, one of the most abundant renewable sources in nature, for a hydrogenation reaction is described. The hydrogenation is demonstrated by reduction of nitroarenes to arylamines in up to 95 % yields. Mechanism studies suggest that the hydrogenation occurs via a hydrogen transformation pathway.