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CAS Number: 122775-34-2
3-iodo-4H-chromen-4-one

Structure

3-iodo-4H-chromen-4-one
Name: 3-iodo-4H-chromen-4-one
Synonyms:
General Information
Product Number: 122775342

CAS Registry Number 122775-34-2
Name:
4H-​1-​Benzopyran-​4-​one, 3-​iodo-
3-Iodo-4H-benzopyran-4-one
3-Iodo-chromen-4-one
3-Iodochromone

 

Chemical Formula: C9H5IO2
Exact Mass: 271.93
Molecular Weight: 272.04
m/z: 271.93 (100.0%), 272.94 (9.9%)

 

InChI:InChI=1S/C9H5IO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H

InChI Key:SZDBDDKQJHHRGH-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C(=CO2)I

 

Thermal Properties Value Condition Note
Melting Point 102-103 °C   (1)CAS
Melting Point 96-98 °C   (2)CAS
Melting Point 95-96 °C   (3)CAS
Melting Point 87-88 °C   (4)CAS

Specification

98%

References
  1. (1) Vasselin, David A.; Journal of Medicinal Chemistry 2006, V49(13), P3973-3981 CAPLUS
  2. (2) Swamy, Nalivela Kumara; Chemical Communications (Cambridge, United Kingdom) 2007, (10), P1035-1037 CAPLUS
  3. (3) Lin, Guo-qiang; Journal of Organic Chemistry 2001, V66(8), P2877-2880 CAPLUS
  4. (4) Eisnor, Charles R.; Tetrahedron 2006, V62(14), P3395-3401 CAPLUS
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