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CAS Number: 25245-29-8
5-iodo-1,2,3-trimethoxybenzene

Structure

5-iodo-1,2,3-trimethoxybenzene
Name: 5-iodo-1,2,3-trimethoxybenzene
Synonyms:
General Information
Product Number: 25245298

CAS Registry Number 25245-29-8
Name:
Benzene, 5-​iodo-​1,​2,​3-​trimethoxy-
1,2,3-Trimethoxy-5-iodobenzene
1-Iodo-3,4,5-trimethoxybenzene
3,4,5-Trimethoxyiodobenzene
3,4,5-Trimethoxyphenyl iodide
5-Iodo-1,2,3-trimethoxybenzene

 

Chemical Formula: C9H11IO3
Exact Mass: 293.98
Molecular Weight: 294.09
m/z: 293.98 (100.0%), 294.98 (10.0%), 295.98 (1.1%)

 

InChI:InChI=1S/C9H11IO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3

InChI Key:IWPMQXOVTMABLF-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)I

 

Thermal Properties Value Condition Note
Melting Point 84.5-85.5 °C   (4)CAS
Melting Point 83-85 °C   (1)CAS
Melting Point 83-85 °C   (5)CAS

Specification

98%

References
  1. (1) Banwell, Martin G.; Bioorganic & Medicinal Chemistry 2006, V14(13), P4627-4638 CAPLUS
  2. (4) Rosowsky, Andre; Journal of Medicinal Chemistry 1998, V41(6), P913-918 CAPLUS
  3. (5) Barbosa, Euzebio G.; European Journal of Medicinal Chemistry 2009, V44(6), P2685-2688 CAPLUS
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