348155

Methyl 4-(bromomethyl)benzoate

98%

• Synonym(s): α-Bromo-p-toluic acid methyl ester, 4-(Bromomethyl)benzoic acid methyl ester, 4-(Carbomethoxy)benzyl bromide, 4-(Methoxycarbonyl)benzyl bromide, Methyl α-bromo-p-toluate, Methyl p-(bromomethyl)benzoate, p-(Bromomethyl)benzoic acid methyl ester, p-(Carbomethoxy)benzyl bromide, p-(Methoxycarbonyl)benzyl bromide
• Linear Formula: BrCH₂C₆H₄CO₂CH₃
• CAS Number: 2417-72-3
• Molecular Weight: 229.07
• MDL number: MFCD00032453
• UNSPSC Code: 12352100
• PubChem Substance ID: 24861555
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• bp: 130-135 °C/2 mmHg (lit.)
• mp: 57-58 °C (lit.)
• functional group: bromo; ester
• SMILES string: COC(=O)c1ccc(CBr)cc1
• InChI: 1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
• InChI key: NLWBJPPMPLPZIE-UHFFFAOYSA-N

Description

General description

Methyl 4-(bromomethyl)benzoate is an ester. It is a lachrymator and an important drug intermediate. Ester group is slightly twisted out of the plane of the central aromatic ring in methyl 4-(bromomethyl)benzoate.

Application

Methyl 4-(bromomethyl)benzoate may be used in the synthesis of 9-O-(4-carboxybenzyl)berberine (CBB).

Safety Information

• Pictograms: GHS06,GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H301,H314,H334
• Precautionary Statements: P260 - P280 - P284 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves