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CAS Number: 55149-84-3
3,4-dimethoxy-2-nitrobenzaldehyde

Structure

 3,4-dimethoxy-2-nitrobenzaldehyde
Name: 3,4-dimethoxy-2-nitrobenzaldehyde
Synonyms:
General Information
Product Number: 55149843

CAS Registry Number 55149-84-3
Name:
Benzaldehyde, 3,?4-?dimethoxy-?2-?nitro-
2-Nitroveratraldehyde
3,4-Dimethoxy-2-nitrobenzaldehyde
4-O-Methyl-2-nitrovanillin

 

Chemical Formula: C9H9NO5
Exact Mass: 211.05
Molecular Weight: 211.17
m/z: 211.05 (100.0%), 212.05 (10.4%), 213.05 (1.5%)

 

InChI:InChI=1S/C9H9NO5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3

InChI Key:VHXOKHNXAGVMJI-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=C(C=C1)C=O)[N+](=O)[O-])OC

 

Thermal Properties Value Condition Note
Melting Point 131-133 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 60-62 °C   (2)CAS
Melting Point 55-56 °C   (4)CAS
Melting Point 54-56 °C   (5)CAS

Specification

98%
References
  1. (2) Shen, Bin; Journal of Fluorine Chemistry 2009, V130(2), P216-224 CAPLUS
  2. (3) De Luca, Laura; European Journal of Medicinal Chemistry 2011, V46(2), P756-764 CAPLUS
  3. (4) Wittmer, Franklin B.; Journal of Organic Chemistry 1945, V10, P527-32 CAPLUS
  4. (5) Hey, D. H.; Journal of the Chemical Society 1954, P2246-56 CAPLUS
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