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CAS Number: 111771-08-5
2-fluoro-6-iodobenzoic acid

Structure

2-fluoro-6-iodobenzoic acid
Name: 2-fluoro-6-iodobenzoic acid
Synonyms:
General Information
Product Number: 111771085
CAS Registry Number:
111771-08-5
Name:
Benzoic acid, 2-​fluoro-​6-​iodo-
2-​Fluoro-​6-​iodobenzoic acid 
 
Chemical Formula: C7H4FIO2
Exact Mass: 265.92
Molecular Weight: 266.01
m/z: 265.92 (100.0%), 266.93 (7.7%)
Elemental Analysis: C, 31.61; H, 1.52; F, 7.14; I, 47.71; O, 12.03
 
InChI: InChI=1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey: CYCXAPWOBWWNRK-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C(=C1)I)C(=O)O)F
 
Thermal Properties Value Condition Note
Melting Point 159 °C   (3)CAS
Melting Point See full text   (4)CAS

Specification

98%

References

  • (2) Mei, Tian-Sheng; Angewandte Chemie, International Edition 2008, V47(28), P5215-5219 CAPLUS
  • (3) Varma, P. S.; Journal of the Indian Chemical Society 1944, V21, P112-16 CAPLUS
  • (4) Heiss, Christophe; Synthesis 2005, (4), P617-621 CAPLUS
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