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480835

Sigma-Aldrich

2-Bromo-4-methylanisole

97%

Synonym(s):

3-Bromo-4-methoxytoluene

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About This Item

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

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

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

480835-BULK:
480835-10G:
480835-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW8234V
33397LJ
07019JH
05106CH
13726DD

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Unambiguous synthesis and spectral characterization of 1,8-dihydroxy-4-methylanthraquinone.
Wang A, et al.
ARKIVOC (Gainesville, FL, United States), 1, 80-84 (2002)
Poly (4-vinylpyridinium bromochromate): an efficient reagent for bromination of aromatic compounds.
Albadi J, et al.
Monatshefte fur Chemie / Chemical Monthly, 144(2), 179-181 (2013)
Lipase-Promoted Access to Phenolic Herbertane-Type Sesquiterpenes: (+)-1, 14-Herbertenediol, (-)-a-Herbertenol, (-)-Herbertenediol and Their Enantiomers.
Acherar S, et al.
European Journal of Organic Chemistry, 2004(24), 5092-5099 (2004)
Highly efficient white organic electroluminescence from a double-layer device based on a boron hydroxyphenylpyridine complex.
Liu Y, et al.
Angewandte Chemie (International Edition in English), 41(1), 182-184 (2002)
Total synthesis of (?)-herbertenolide by stereospecific formation of vicinal quaternary centers in a crystalline ketone.
Ng D, et al.
Organic Letters, 6(4), 645-647 (2004)

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