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CAS Number: 16494-40-9
2-iodo-3-methylthiophene

Structure

 2-iodo-3-methylthiophene
Name: 2-iodo-3-methylthiophene
Synonyms:
General Information
Product Number: 16494409

CAS Registry Number 16494-40-9
Name:
Thiophene, 2-​iodo-​3-​methyl-
2-Iodo-3-methylthiophene
3-Methyl-2-iodothiophene

 

Chemical Formula: C5H5IS
Exact Mass: 223.92
Molecular Weight: 224.06
m/z: 223.92 (100.0%), 224.92 (6.3%), 225.91 (4.5%)

 

InChI:InChI=1S/C5H5IS/c1-4-2-3-7-5(4)6/h2-3H,1H3

InChI Key:MQICPBFMKDHSHJ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(SC=C1)I

 

Thermal Properties Value Condition Note
Boiling Point 86-88 °C Press: 13 Torr (1)CAS
Boiling Point 84.8-85.1 °C Press: 11 Torr (2)CAS
Boiling Point 84-86 °C Press: 11 Torr (3)CAS
Boiling Point 49-51 °C Press: 2 Torr (4)IC
Melting Point -45.9--43.7 °C   (2)CAS

Specification

98%
References
  1. (1) Steinkopf, Wilhelm; Justus Liebigs Annalen der Chemie 1935, V515, P273-83 CAPLUS
  2. (2) Steinkopf, Wilhelm; Justus Liebigs Annalen der Chemie 1937, V532, P236-49 CAPLUS
  3. (3) Peters, Arnold T.; Journal of the Chemical Society 1957, P1525-33 CAPLUS
  4. (4) Suzuki, Hitomi; Bulletin of the Institute for Chemical Research, Kyoto University 1974, V52(3), P561-5 CAPLUS
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