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
Beilstein:
159169
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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V Erjavec et al.
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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)
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Grasa GA, et al.
The Journal of Organic Chemistry, 68(7), 2812-2819 (2003)
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