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CAS Number: 105694-46-0
7-iodoisobenzofuran-1(3H)-one

Structure

7-iodoisobenzofuran-1(3H)-one
Name: 7-iodoisobenzofuran-1(3H)-one
Synonyms:
General Information
Product Number: 105694460

CAS Registry Number 105694-46-0
Name:
1(3H)?-?Isobenzofuranone, 7-?iodo-
Phthalide, 7-iodo- (5CI)
7-Iodophthalide

 

Chemical Formula: C8H5IO2
Exact Mass: 259.93
Molecular Weight: 260.03
m/z: 259.93 (100.0%), 260.94 (8.8%)

 

InChI:InChI=1S/C8H5IO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3H,4H2

InChI Key:HCQIZIWFLKWDFR-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C(=CC=C2)I)C(=O)O1

 

Thermal Properties Value Condition Note
Melting Point 137 °C   (2)CAS
Melting Point 137 °C   (3)CAS
Melting Point 137 °C   (1)IC

Specification

98%

References
  1. (1) Soucy, C.; Journal of Organic Chemistry 1987, V52(1), P129-34 CAPLUS
  2. (2) Vene, Jean; Compt. rend. 1951, V232, P2328-9 CAPLUS
  3. (3) Tirouflet, Jean; Bull. soc sci. Bretagne Spec. 1951, VNo. 26, P49-59 CAPLUS
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