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CAS Number: 4792-36-3
[1,3]dioxolo[4,5-f]isobenzofuran-5(7H)-one

Structure

[1,3]dioxolo[4,5-f]isobenzofuran-5(7H)-one
Name: [1,3]dioxolo[4,5-f]isobenzofuran-5(7H)-one
Synonyms:
General Information
Product Number: 4792363

CAS Registry Number: 4792-36-3

Name:

Furo[3,​4-​f]​-​1,​3-​benzodioxol-​5(7H)​-​one
Phthalide, 5,​6-​(methylenedioxy)​- (6CI,​8CI); 1(3H)​-​Isobenzofuranone, 5,​6-​[methylenebis(oxy)​]​-; 5,​6-​(Methylenedioxy)​phthalide 

 

Chemical Formula: C9H6O4
Exact Mass: 178.03
Molecular Weight: 178.14
m/z: 178.03 (100.0%), 179.03 (10.0%), 180.03 (1.3%)
Elemental Analysis: C, 60.68; H, 3.39; O, 35.93

 

InChI: InChI=1S/C9H6O4/c10-9-6-2-8-7(12-4-13-8)1-5(6)3-11-9/h1-2H,3-4H2
InChIKey: QIYDTIMMZOUCGL-UHFFFAOYSA-N
Canonical SMILES : C1C2=CC3=C(C=C2C(=O)O1)OCO3

 

Thermal Properties Value Condition Note
Melting Point 190-191 °C Solv: ethyl acetate (141-78-6); dichloromethane (75-09-2) (3)CAS
Melting Point 188-190 °C Solv: chloroform (67-66-3); hexane (110-54-3) (2)IC
Melting Point 187-188 °C   (4)CAS
Melting Point 185-187 °C   (3)CAS

 

Specification

98%

References
  1. (1) Mal, Dipakranjan; Journal of Organic Chemistry 2011, V76(9), P3392-3398 CAPLUS
  2. (2) Sinhababu, Achintya K.; Journal of Organic Chemistry 1983, V48(14), P2356-60 CAPLUS
  3. (3) Attaluri, Sivaprasad; Nucleic Acids Research 2010, V38(1), P339-352 CAPLUS
  4. (4) Blair, John; Journal of the Chemical Society 1954, P1836-9 CAPLUS
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