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CAS Number: 68507-19-7
3-iodo-4-methoxybenzoic acid

Structure

 3-iodo-4-methoxybenzoic acid
Name: 3-iodo-4-methoxybenzoic acid
Synonyms:
General Information
Product Number: 68507197

CAS Registry Number 68507-19-7
Name:
Benzoic acid, 3-?iodo-?4-?methoxy-
p-Anisic acid, 3-iodo- (7CI)
3-Iodo-4-methoxybenzoic acid
3-Iodo-p-anisic 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(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChI Key:HNJSYSWRPCCSQI-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 243-244 °C   (4)CAS
Melting Point 242-243 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 241-243 °C   (1)CAS
Melting Point See full text   (6)CAS

Specification

98%
References
  1. (1) Hamamoto, Hiromi; Synlett 2011, (11), P1563-1566 CAPLUS
  2. (4) Zembower, David E.; Journal of Organic Chemistry 1998, V63(25), P9300-9305 CAPLUS
  3. (5) Kraszkiewicz, Lukasz; Tetrahedron 2004, V60(41), P9113-9119 CAPLUS
  4. (6) Kraszkiewicz, Lukasz; Synthesis 2006, (7), P1195-1199 CAPLUS
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