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CAS Number: 58819-72-0
2,6-dimethoxynicotinaldehyde

Structure

2,6-dimethoxynicotinaldehyde
Name: 2,6-dimethoxynicotinaldehyde
Synonyms:
General Information
Product Number: 58819720

CAS Registry Number 58819-72-0

Name:
3-​Pyridinecarboxaldehy​de, 2,​6-​dimethoxy-
2,6-Dimethoxy-3-formylpyridine
2,6-Dimethoxynicotinaldehyde
2,6-Dimethoxypyridine-3-carboxaldehyde

 

Chemical Formula: C8H9NO3
Exact Mass: 167.06
Molecular Weight: 167.16
m/z: 167.06 (100.0%), 168.06 (9.2%)

 

InChI:InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-10)8(9-7)12-2/h3-5H,1-2H3

InChI Key:UWHJWEBMUYYQKM-UHFFFAOYSA-N

Canonical SMILES:COC1=NC(=C(C=C1)C=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 110 °C Press: 3 Torr (1)IC
Melting Point 73 °C Solv: methanol (67-56-1) (3)IC
Melting Point 70-71 °C Solv: hexane (110-54-3) (4)IC
Melting Point 64-66 °C   (5)IC
Melting Point 58 °C   (1)IC
Melting Point 53-55 °C   (2)IC

Specification

98%

References
  1. (1) Mallet, Marc; Journal of Organometallic Chemistry 1991, V406(1-2), P49-56 CAPLUS
  2. (2) Dainter, Ronald S.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1989, (2), P283-7 CAPLUS
  3. (3) Martani, A.; Bollettino Chimico Farmaceutico 1975, V114(10), P590-7 CAPLUS
  4. (4) Kompis, Ivan; European Journal of Medicinal Chemistry 1977, V12(6), P531-6 CAPLUS
  5. (5) Dainter, Ronald S.; Tetrahedron Letters 1984, V25(49), P5693-6 CAPLUS
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