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CAS Number: 552333-33-2
7-bromoisochroman-1,3-dione

Structure

 7-bromoisochroman-1,3-dione
Name: 7-bromoisochroman-1,3-dione
Synonyms:
General Information
Product Number: 552333332

CAS Registry Number 552333-33-2
Name:
1H-?2-?Benzopyran-?1,?3(4H)?-?dione, 7-?bromo-
7-Bromo-1H-isochromene-1,3(4H)-dione

 

Chemical Formula: C9H5BrO3
Exact Mass: 239.94
Molecular Weight: 241.04
m/z: 239.94 (100.0%), 241.94 (97.3%), 240.95 (9.9%), 242.94 (9.6%), 241.95 (1.1%)

 

InChI:InChI=1S/C9H5BrO3/c10-6-2-1-5-3-8(11)13-9(12)7(5)4-6/h1-2,4H,3H2

InChI Key:WANGWCBXVJULNK-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=C(C=C2)Br)C(=O)OC1=O

 

Thermal Properties Value Condition Note
Melting Point 171-173 °C   (1)CAS

Specification

98%
References
  1. (1) Ozcan, Sevil; Tetrahedron Letters 2011, V52(13), P1495-1497 CAPLUS
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