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4-Bromomethyl-3-nitrobenzoic acid

ALDRICH/423564 - 97%

CAS Number: 55715-03-2
Empirical Formula (Hill Notation): C8H6BrNO4
Molecular Weight: 260.04
MDL Number: MFCD00216575
Linear Formula: BrCH2C6H3(NO2)CO2H
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-423564-5G 5 g
 $167.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 423564-5G

 

assay 97%
form solid
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
mp 127-130 °C (lit.)
SMILES string OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O
solubility dichloromethane: soluble(lit.)
  DMF: soluble(lit.)
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.
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.
Packaging: 5 g in glass bottle
Purity 97%
mp 127-130 °C (lit.)
UNSPSC 12352100

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