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CAS Number: 2786-00-7
5-iodo-2-methoxybenzoic acid

Structure

5-iodo-2-methoxybenzoic acid
Name: 5-iodo-2-methoxybenzoic acid
Synonyms:
General Information
Product Number: 2786007

CAS Registry Number 2786-00-7
Name:
Benzoic acid, 5-?iodo-?2-?methoxy-
o-Anisic acid, 5-iodo- (7CI,8CI)
5-Iodo-2-methoxybenzoic acid

 

Chemical Formula: C8H7IO3
Exact Mass: 277.94
Molecular Weight: 278.04
m/z: 277.94 (100.0%), 278.95 (8.8%)

 

InChI:InChI=1S/C8H7IO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:FVEBPHMWZVPXQS-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 195-197 °C   (4)CAS
Melting Point 152-153 °C Solv: hexane (110-54-3); toluene (108-88-3) (5)CAS
Melting Point 150.0-150.1 °C   (1)CAS
Melting Point 55-57 °C   (2)CAS
Melting Point 47-48 °C   (6)CAS

Specification

98%

References
  1. (1) Paul, Tapas; Organic Letters 2006, V8(18), P4007-4010 CAPLUS
  2. (2) El-Kabbani, Ossama; European Journal of Medicinal Chemistry 2010, V45(11), P5309-5317 CAPLUS
  3. (4) Xu, Yu Ping; Applied Radiation and Isotopes 2009, V67(4), P594-597 CAPLUS
  4. (5) Yusubov, Mekhman S.; Synthetic Communications 2007, V37(8), P1259-1265 CAPLUS
  5. (6) Lee, Seung Hwan; Synthetic Communications 2009, V39(22), P4069-4078 CAPLUS
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