480835

2-Bromo-4-methylanisole

97%

• Synonym(s): 3-Bromo-4-methoxytoluene
• Linear Formula: Br(CH₃)C₆H₃OCH₃
• CAS Number: 22002-45-5
• Molecular Weight: 201.06
• EC Number: 244-705-3
• MDL number: MFCD00017783
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871722
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.565 (lit.)
• bp: 124-125 °C/20 mmHg (lit.)
• mp: 15.5 °C (lit.)
• density: 1.392 g/mL at 25 °C (lit.)
• functional group: bromo
• SMILES string: COc1ccc(C)cc1Br
• InChI: 1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
• InChI key: DHPUIKWBNXTXOB-UHFFFAOYSA-N

Description

General description

2-Bromo-4-methylanisole can be prepared via bromination of 4-methylanisole using poly(4-vinylpyridinium bromochromate).

Application

2-Bromo-4-methylanisole may be used in the synthesis of:

• 1,6-bis(2-hydroxy-5-methylphenyl)pyridine (H₂mdppy)
• 1,8-dimethoxy-4-methylanthra-quinone
• ethyl 2-(2-methoxy-5-methylphenyl)-2-methyl-4-oxocyclopentanecarboxylate

It may be used as starting material in the multi-step synthesis of sesquiterpene (±)-herbertenolide.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter