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348155

4-(溴甲基)苯甲酸甲酯

98%

别名:

α-溴-对苯甲酸甲酯, α-溴对甲苯酸甲酯, 4-(羰基甲氧基)溴苄, 4-（溴甲基）苯甲酸甲酯, 4-（羰基甲氧基）溴苄, 对(溴甲基)苯甲酸甲酯, 对(羰基甲氧基)溴苄, 对（溴甲基）苯甲酸甲酯

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关于此项目

线性分子式:
BrCH2C6H4CO2CH3
化学文摘社编号:
2417-72-3
分子量:
229.07
NACRES:
NA.22
PubChem Substance ID:
24861555
UNSPSC Code:
12352100
MDL number:
MFCD00032453
Assay:
98%
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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

General description

4-(溴甲基)苯甲酸甲酯是一种酯，是一种催泪物质和重要的药物中间体。 酯基在4-(溴甲基)苯甲酸甲酯中略微扭曲出中心芳环的平面。

Application

4-(溴甲基)苯甲酸甲酯可用于合成9-O-(4-羧基苄基)小檗碱（CBB）。

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B

存储类别

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

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MKCT5915
MKCT5914
MKCR7350
MKCJ1202
MKCG6141

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Jin-Xiang Chen et al.
Bioorganic & medicinal chemistry letters, 22(23), 7056-7059 (2012-10-23)
9-O-(4-carboxybenzyl)berberine (CBB) 1 was synthesized from the reaction of berberrubine with methyl 4-(bromomethyl)benzoate and subsequent hydrolysis. Its Cu(II) complex 2 was prepared from the reaction with Cu(NO(3))(2)·3H(2)O, and established as [Cu(CBB)(2)](NO(3))(2)·2H(2)O by means of (1)H NMR, UV, IR, elemental analysis
Adel A Marzouk et al.
Bioorganic chemistry, 101, 104020-104020 (2020-07-01)
New imidazolidindiones and tetra-substituted imidazole derivatives were designed, synthesized, and evaluated for the anticonvulsant activity through pentylenetetrazole (PTZ)-induced seizures and maximal electroshock (MES) tests using valproate sodium and phenytoin sodium as reference drugs, respectively. Most of the target compounds showed
Methyl 4-(bromomethyl) benzoate.
Yathirajan HS, et al.
Acta Crystallographica Section E, Structure Reports Online, 63(3), o1334-o1335 (2007)
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全球贸易项目编号

货号GTIN
348155-25G04061826762196
348155-5G04061826762233