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CAS Number: 16066-91-4
5-iodo-1H-indole

Structure

5-iodo-1H-indole
Name: 5-iodo-1H-indole
Synonyms:
General Information
Product Number: 16066914

CAS Registry Number 16066-91-4
Name:
1H-?Indole, 5-?iodo-
Indole, 5-iodo- (6CI,7CI,8CI)
5-Iodo-1H-indole
5-Iodoindole

 

Chemical Formula: C8H6IN
Exact Mass: 242.95
Molecular Weight: 243.04
m/z: 242.95 (100.0%), 243.96 (8.7%)

 

InChI:InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

InChI Key:TVQLYTUWUQMGMP-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CN2)C=C1I

 

Thermal Properties Value Condition Note
Melting Point 100-102 °C Solv: hexane (110-54-3) (6)IC
Melting Point 99-102 °C   (7)CAS
Melting Point 99-100 °C   (8)CAS
Melting Point 97-100 °C   (4)IC
Melting Point 57.5-58.3 °C   (2)CAS
Melting Point 51.0 °C   (3)CAS

Specification

98%

References
  1. (2) Chen, Yi-Hung; Angewandte Chemie, International Edition 2009, V48(12), P2236-2239 CAPLUS
  2. (3) Matousova, Eliska; Chemical Communications (Cambridge, United Kingdom) 2011, V47(33), P9390-9392 CAPLUS
  3. (4) Russell, Henry F.; Organic Preparations and Procedures International 1985, V17(6), P391-9 CAPLUS
  4. (6) Bergman, Jan; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1976, VB30(9), P853-62 CAPLUS
  5. (7) Hydorn, Allan E.; US 3445479 A 1969 CAPLUS
  6. (8) GB 919864 1963 CAPLUS
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