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CAS Number: 42298-41-9
5-iodo-2-methoxybenzaldehyde

Structure

5-iodo-2-methoxybenzaldehyde
Name: 5-iodo-2-methoxybenzaldehyde
Synonyms:
General Information
Product Number: 42298419

CAS Registry Number 42298-41-9
Name:
Benzaldehyde, 5-?iodo-?2-?methoxy-
5-Iodo-2-methoxybenzaldehyde
NSC 95686

 

Chemical Formula: C8H7IO2
Exact Mass: 261.95
Molecular Weight: 262.04
m/z: 261.95 (100.0%), 262.95 (8.7%)

 

InChI:InChI=1S/C8H7IO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

InChI Key:PIRKMHAREMCDPZ-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C=C1)I)C=O

 

Thermal Properties Value Condition Note
Melting Point 145 °C Solv: pentane (109-66-0) (2)CAS
Melting Point 142-143 °C   (4)CAS
Melting Point 140-142 °C   (5)CAS
Melting Point 140-141 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 136-138 °C   (3)CAS

Specification

98%

References
  1. (1) Hathaway, Bruce A.; Synthetic Communications 2007, V37(21), P3855-3860 CAPLUS
  2. (2) Toumi, Mathieu; Angewandte Chemie, International Edition 2007, V46(4), P572-575 CAPLUS
  3. (3) He, Yu-Peng; Chemistry - An Asian Journal 2011, V6(6), P1546-1556 CAPLUS
  4. (4) Yang, Haijun; Chemistry - A European Journal 2011, V17(20), P5652-5660, S5652/1-S5652/182 CAPLUS
  5. (5) Tchilibon, Susanna; Journal of Medicinal Chemistry 2005, V48(6), P1745-1758 CAPLUS
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