8.18713

Methyl nicotinate

for synthesis

• Synonym(s): Methyl nicotinate
• Empirical Formula (Hill Notation): C₇H₇NO₂
• CAS Number: 93-60-7
• Molecular Weight: 137.14
• MDL number: MFCD00006388
• UNSPSC Code: 12352108
• EC Index Number: 202-261-8
• NACRES: NA.22

Properties

• vapor pressure: 0.4 hPa ( 25 °C)
• Quality Level: 200
• assay: ≥99.0% (GC)
• form: crystals
• potency: >2000 mg/kg LD₅₀, oral (Rat)
• bp: 209 °C/1013 hPa
• mp: 39 °C
• transition temp: flash point 95 °C
• bulk density: 600 kg/m³
• storage temp.: 2-30°C
• SMILES string: n1cc(ccc1)C(=O)OC
• InChI: 1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
• InChI key: YNBADRVTZLEFNH-UHFFFAOYSA-N

Description

Application

• Green synthesis of nicotinamide derivatives: Development of a green synthesis process for nicotinamide derivatives using Novozym® 435 in microreactors demonstrated an innovative application of methyl nicotinate in sustainable chemical production (Sheng et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 39 °C
Melting range (upper value): ≤ 42 °C
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315 - H319 - H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3