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CAS Number: 5780-00-7
6-methoxybenzo[d][1,3]dioxole-5-carbaldehyde

Structure

6-methoxybenzo[d][1,3]dioxole-5-carbaldehyde
Name: 6-methoxybenzo[d][1,3]dioxole-5-carbaldehyde
Synonyms:
General Information
Product Number: 5780007

CAS Registry Number 5780-00-7
Name:
1,​3-​Benzodioxole-​5-​carboxaldehyde, 6-​methoxy-
Benzaldehyde, 2-methoxy-4,5-(methylenedioxy)- (6CI,7CI,8CI)
2-Methoxy-4,5-(methylenedioxy)benzaldehyde
6-Methoxypiperonal

 

Chemical Formula: C9H8O4
Exact Mass: 180.04
Molecular Weight: 180.16
m/z: 180.04 (100.0%), 181.05 (10.0%), 182.05 (1.3%)

 

InChI:InChI=1S/C9H8O4/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-4H,5H2,1H3

InChI Key:NCIYDDIPUGCVKX-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1C=O)OCO2

 

Thermal Properties Value Condition Note
Melting Point 111.5-112 °C   (3)CAS
Melting Point 111.5-112 °C   (4)CAS
Melting Point 109-110 °C   (5)CAS
Melting Point 108-110 °C   (1)CAS

Specification

98%

References
  1. (1) Aslam, Shazia N.; Tetrahedron 2006, V62(17), P4214-4226 CAPLUS
  2. (3) Campbell, Kenneth N.; Journal of Organic Chemistry 1951, V16, P1736-41 CAPLUS
  3. (4) Fukui, Kenji; Nippon Kagaku Zasshi 1963, V84, P606-609 CAPLUS
  4. (5) Duan, Xin-Fang; Journal of Organic Chemistry 2007, V72(26), P10283-10286 CAPLUS
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