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72351

Sigma-Aldrich

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:
94-44-0
Molecular Weight:
213.23
Beilstein:
159169
EC Number:
202-332-3
MDL number:
MFCD00023584
UNSPSC Code:
12352100
PubChem Substance ID:
57652415
NACRES:
NA.22

Assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.570

bp

177 °C/8 mmHg (lit.)

mp

24 °C (lit.)

SMILES string

O=C(OCc1ccccc1)c2cccnc2

InChI

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

InChI key

KVYGGMBOZFWZBQ-UHFFFAOYSA-N

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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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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)
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
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
Efficient transesterification/acylation reactions mediated by N-heterocyclic carbene catalysts.
Grasa GA, et al.
The Journal of Organic Chemistry, 68(7), 2812-2819 (2003)
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