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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

Quality Level

100

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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