72351

Benzyl nicotinate

≥98.0% (GC)

• Synonym(s): Nicotinic acid benzyl ester
• 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

Properties

• 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.)
• 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

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• 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