75366-10-8

Basic information

• Product Name: 1-Bromo-2-bromomethyl-3-methyl-benzene
• Synonyms: 1-Bromo-2-bromomethyl-3-methyl-benzene;2-bromo-6-methylbenzyl bromde
• CAS NO: 75366-10-8
• Molecular Formula: C₈H₈Br₂
• Molecular Weight: 263.95712
• Mol File: 75366-10-8.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 1-Bromo-2-bromomethyl-3-methyl-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Bromo-2-bromomethyl-3-methyl-benzene(75366-10-8)
• EPA Substance Registry System: 1-Bromo-2-bromomethyl-3-methyl-benzene(75366-10-8)

Safety Data

• Hazardous Substances Data: 75366-10-8(Hazardous Substances Data)

Usage

General Description

1-Bromo-2-bromomethyl-3-methyl-benzene is a chemical compound with the molecular formula C8H8Br2. It is a derivative of benzene with two bromine atoms and a methyl group attached to the benzene ring. 1-Bromo-2-bromomethyl-3-methyl-benzene is commonly used as an intermediate in organic synthesis and as a building block in the preparation of various pharmaceuticals and agrochemicals. It is also used as a reagent in chemical reactions and as a precursor to other bromoalkyl derivatives. 1-Bromo-2-bromomethyl-3-methyl-benzene is a clear, colorless liquid with a strong, pungent odor and is considered to be hazardous if ingested, inhaled, or in contact with skin and eyes. It should be handled with care and used in a well-ventilated area with appropriate safety precautions.

Upstream product

• 75366-04-0 2-methyl-1H-cyclopropabenzene 
• 99548-56-8 methyl 2-bromo-6-methyl-benzoate 
• 576-23-8 2,3-dimethylbromobenzene 

Downstream Products

• 200049-46-3 7-bromo-2,3-dihydro-1H-isoindol-1-one 
• 1114904-92-5 (2-bromo-4-methylbenzyl)triphenylphosphonium bromide 

Relevant articles and documents

Structure Elucidation Using Gas Chromatography-Infrared Spectroscopy/Mass Spectrometry Supported by Quantum Chemical IR Spectrum Simulations

An improved strategy for compound identification incorporating gas chromatography hyphenated with Fourier transform infrared spectroscopy and mass spectroscopy (GC-FTIR/MS) is reported. (Over)reliance on MS may lead either to ambiguous identity or to incorrect identification of a compound. However, the MS result is useful to provide a cohort of possible compounds. The IR result for each tentative compound match was then simulated using molecular modeling, to provide functional group and isomer differentiation information, and then compared with the experimental FTIR result, offering identification based on both MS and IR. Several basis sets were evaluated for IR simulations; Def2-TZVPP was a suitable basis set and correlated well with experimental data. The approach was applied to industrial applications, confirming the isomers of 2,3-bis(thiosulfanyl)-but-2-enedinitrile, bromination products of 1-bromo-2,3-dimethylbenzene, and autoxidative degradation of phenyl-di-tert-butylphosphine.

COMPOUNDS

The present invention relates to novel compounds, and therapeutically acceptable salts thereof of the formula (I), which inhibit exogenously or endogenously stimulated gastric acid secretion and thus can be used in the prevention and treatment of gastrointestinal inflammatory diseases