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CAS Number: 66607-27-0
3-iodo-1H-indazole

Structure

3-iodo-1H-indazole
Name: 3-iodo-1H-indazole
Synonyms:
General Information
Product Number: 66607270

CAS Registry Number 66607-27-0
Name:
1H-?Indazole, 3-?iodo-
3-Iodo-1H-indazole
3-Iodo-1H-benzopyrazole
3-Iodoindazole

 

Chemical Formula: C7H5IN2
Exact Mass: 243.95
Molecular Weight: 244.03
m/z: 243.95 (100.0%), 244.95 (8.3%)

 

InChI:InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

InChI Key:UDKYMMQGPNFWDA-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(NN=C2C=C1)I

 

Thermal Properties Value Condition Note
Melting Point 142-145 °C Solv: methanol (67-56-1) (9)IC
Melting Point 142-144 °C   (5)CAS
Melting Point 142 °C   (10)CAS
Melting Point 142 °C Solv: water (7732-18-5) (11)CAS
Melting Point 141 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 140 °C   (4)CAS

Specification

98%

References
  1. (3) Crestey, Francois; Synthesis 2006, (20), P3506-3514 CAPLUS
  2. (4) Lohou, Elodie; Synthesis 2011, (16), P2651-2663 CAPLUS
  3. (5) Pelc, Matthew; Synlett 2010, (2), P219-222 CAPLUS
  4. (9) Wrzeciono, Urszula; Pharmazie 1979, V34(1), P20-2 CAPLUS
  5. (10) Pozharskii, F. T.; Zhurnal Obshchei Khimii 1964, V34(8), P2777-8 CAPLUS
  6. (11) Auwers, K. v.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1922, V55B, P1139-73 CAPLUS
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