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Merck
CN

72351

Benzyl nicotinate

≥98.0% (GC)

Synonym(s):

Nicotinic acid benzyl ester

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About This Item

Empirical Formula (Hill Notation):
C13H11NO2
CAS Number:
Molecular Weight:
213.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-332-3
Beilstein/REAXYS Number:
159169
MDL number:
Assay:
≥98.0% (GC)
Form:
liquid
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InChI key

KVYGGMBOZFWZBQ-UHFFFAOYSA-N

InChI

1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

SMILES string

O=C(OCc1ccccc1)c2cccnc2

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.570

bp

177 °C/8 mmHg (lit.)

mp

24 °C (lit.)

functional group

ester, phenyl

Quality Level

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General description

Benzyl nicotinate is a benzyl ester. It is a vasodilator agent and is also generally used in cosmetics and drugs.

Application

Benzyl nicotinate can be used for the synthesis of benzylpalladium complexes to be used as catalysts for the substitution of olefins with benzylic groups.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves


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V Erjavec et al.
International journal of pharmaceutics, 307(1), 1-8 (2005-11-01)
The purpose of this study was to select the best types of liposomes for use as drug carriers for topical treatment of oral mucosal lesions. Electron paramagnetic resonance (EPR) oximetry, using the paramagnetic probe lithium phthalocyanine, was used in vivo
Synthesis of benzylpalladium complexes through C-O bond cleavage of benzylic carboxylates: Development of a novel palladium-catalyzed benzylation of olefins.
Narahashi H, et al.
Journal of Organometallic Chemistry, 693(2), 283-296 (2008)
Zrinka Abramovic et al.
Advances in experimental medicine and biology, 701, 75-82 (2011-03-30)
Tumor hypoxia is a well known therapeutic problem which contributes to radioresistance and aggressive tumor characteristics. Lack of techniques for repeated measurements of tumor oxygenation (pO(2), partial pressure of oxygen) has restricted the optimization of hypoxia modifying methods and their
Julijana Kristl et al.
AAPS pharmSci, 5(1), E2-E2 (2003-04-26)
New and improved drug delivery systems are the important subject of much scientific research. The development of formulations that increase skin oxygenation and of methods for measuring oxygen levels in skin are important for dealing with healing processes affected by
Ute Jacobi et al.
Journal of biomedical optics, 11(1), 014025-014025 (2006-03-11)
The topical application of drugs, such as nicotinates, affects cutaneous blood flow. Such a biological response, which is dependent on the drug and the individual, can be measured noninvasively using laser Doppler flowmetry. We illustrate the kinetics of vasodilation caused

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