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


45-423564-5G	5 g	$178.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	97%
form	solid
functional group	bromo
	carboxylic acid
	nitro
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.)
Quality Level	100
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

Symbol	GHS05
Signal word	Danger
Hazard statements	H314
Precautionary statements	P280 - P305 + P351 + P338 - P310
Hazard Codes	C
Risk Statements	34
Safety Statements	26-36/37/39-45
RIDADR	UN 3261 8 / PGII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
mp	127-130 °C (lit.)
UNSPSC	12352100

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