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423564

4-溴甲基-3-硝基苯甲酸

Name: 4-溴甲基-3-硝基苯甲酸
Brand: ALDRICH

97%

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关于此项目

线性分子式:

BrCH₂C₆H₃(NO₂)CO₂H

化学文摘社编号:

55715-03-2

分子量:

260.04

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24866507

MDL number:

MFCD00216575

Beilstein/REAXYS Number:

1970939

Assay:

97%

Form:

solid

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属性

Quality Level

100

assay

97%

form

solid

mp

127-130 °C (lit.)

solubility

DMF: soluble(lit.), dichloromethane: soluble(lit.)

functional group

bromo, carboxylic acid, nitro

SMILES string

OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O

InChI

1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

InChI key

QMAHVAFURJBOFV-UHFFFAOYSA-N

说明

General description

4-Bromomethyl-3-nitrobenzoic acid (BNBA) is a benzoic acid derivative. It has been synthesized by the nitration of 4-bromomethylbenzoic acid using fuming nitric acid. It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.

Application

4-Bromomethyl-3-nitrobenzoic acid may be used in the following studies:

As a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester (BNBA-SE).
As a reactant in the synthesis of 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid.
As a reactant in the synthesis of decyl 4-(bromomethyl)-3-nitrobenzoate.
As a reactant in the synthesis of 4-((2-(hydroxymethyl)phenylamino)methyl)-3-nitrobenzoic acid.
As a thiol photo-deprotection reagent.
As a UV-cleavable reagent to functionalize polyacrylamide acryl hydrate (PAAH).
As a photocleavable linker to form localized photoinversion of surface charges inside the colloidal crystal.
As a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.
As a reactant in the synthesis of (N-allyloxycarbonyl)-5-aminopent-1-yl 4-bromomethyl-3-nitrobenzoate.

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

Hazard Classifications

Skin Corr. 1B

存储类别

8A - Combustible corrosive hazardous materials

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)

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全球贸易项目编号

货号	GTIN
423564-5G	04061831810899