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CAS Number: 43020-38-8
2,3,4-trimethoxybenzonitrile

Structure

2,3,4-trimethoxybenzonitrile
Name: 2,3,4-trimethoxybenzonitrile
Synonyms:
General Information
Product Number: 43020388

CAS Registry Number 43020-38-8
Name:
Benzonitrile, 2,?3,?4-?trimethoxy-
2,3,4-Trimethoxybenzonitrile

 

Chemical Formula: C10H11NO3
Exact Mass: 193.07
Molecular Weight: 193.20
m/z: 193.07 (100.0%), 194.08 (11.1%), 195.08 (1.2%)

 

InChI:InChI=1S/C10H11NO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,1-3H3

InChI Key:YCSGHMDKBZNXJC-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=C(C=C1)C#N)OC)OC

 

Thermal Properties Value Condition Note
Boiling Point 170-175 °C Press: 14 Torr (1)CAS
Boiling Point 164-167 °C Press: 8 Torr (2)CAS
Melting Point 58 °C   (8)CAS
Melting Point 56-57 °C   (5)CAS
Melting Point 56-56.5 °C   (6)IC
Melting Point 55-56 °C   (3)CAS
Melting Point 55-56 °C   (5)CAS
Melting Point 52-55 °C   (2)CAS
Melting Point 47-52 °C   (2)CAS

Specification

98%

References
  1. (1) Fului, Kenji; Nippon Kagaku Zasshi 1963, V84(9), P752-4 CAPLUS
  2. (2) Gutsche, C. David; Journal of the American Chemical Society 1954, V76, P1776-9 CAPLUS
  3. (3) Zhang, Zhihui; Organic Letters 2006, V8(19), P4331-4333 CAPLUS
  4. (5) Ushijima, Sousuke; Synlett 2010, (7), P1067-1070 CAPLUS
  5. (6) Gotthardt, Hans; Liebigs Annalen der Chemie 1981, (6), P1025-34 CAPLUS
  6. (8) Karrer, P.; Helvetica Chimica Acta 1920, V3, P261-72 CAPLUS
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