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CAS Number: 66416-72-6
4-bromo-2-iodoaniline

Structure

4-bromo-2-iodoaniline
Name: 4-bromo-2-iodoaniline
Synonyms:
General Information
Product Number: 66416726

CAS Registry Number 66416-72-6
Name:
Benzenamine, 4-?bromo-?2-?iodo-
4-Bromo-2-iodobenzenamine
2-Iodo-4-bromoaniline
4-Bromo-2-iodoaniline
4-Bromo-2-iodophenylamine

 

Chemical Formula: C6H5BrIN
Exact Mass: 296.87
Molecular Weight: 297.92
m/z: 296.87 (100.0%), 298.86 (97.3%), 297.87 (6.5%), 299.87 (6.4%)

 

InChI:InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChI Key:HHTYEQWCHQEJNV-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Br)I)N

 

Thermal Properties Value Condition Note
Melting Point 76-77 °C Solv: ethyl ether (60-29-7) (4)CAS
Melting Point 71 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 71 °C Solv: methanol (67-56-1); water (7732-18-5) (6)IC
Melting Point 70-71 °C   (3)CAS
Melting Point 69-70 °C   (7)CAS

Specification

98%

References
  1. (3) Chretien, Jean-Mathieu; Journal of Organic Chemistry 2005, V70(7), P2870-2873 CAPLUS
  2. (4) Sosnowski, Maciej; Molecules 2004, V9(7), P617-621 CAPLUS
  3. (5) Dains, F. B.; Journal of the American Chemical Society 1918, V40, P930-6 CAPLUS
  4. (6) Kajigaeshi, Shoji; Bulletin of the Chemical Society of Japan 1988, V61(2), P600-2 CAPLUS
  5. (7) Sosnowski, Maciej; Molecules 2002, V7(12), P867-870 CAPLUS
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