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CAS Number: 31599-61-8
4-iodo-1,2-dimethylbenzene

Structure

4-iodo-1,2-dimethylbenzene
Name: 4-iodo-1,2-dimethylbenzene
Synonyms:
General Information
Product Number: 31599618

CAS Registry Number 31599-61-8
Name:
Benzene, 4-?iodo-?1,?2-?dimethyl-
o-Xylene, 4-iodo- (7CI,8CI)
4-Iodo-1,2-dimethylbenzene
1,2-Dimethyl-4-iodobenzene
1-Iodo-3,4-dimethylbenzene
3,4-Dimethyliodobenzene

 

Chemical Formula: C8H9I
Exact Mass: 231.97
Molecular Weight: 232.06
m/z: 231.97 (100.0%), 232.98 (8.8%)

 

InChI:InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

InChI Key:CSFRCLYFVINMBZ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 234 °C   (1)CAS
Boiling Point 229 °C Press: 760 Torr (2)IC
Boiling Point 225 °C   (3)CAS
Boiling Point 139-142 °C Press: 15 Torr (4)CAS
Boiling Point 139-141 °C Press: 15 Torr (4)CAS
Boiling Point 138-140 °C Press: 45 Torr (5)IC
Melting Point 228-235 °C   (9)CAS
Melting Point 50-55 °C   (10)CAS

Specification

98%

References
  1. (1) Sathiyapriya, R.; E-Journal of Chemistry 2009, V6(4), P1164-1166 CAPLUS
  2. (2) Kajigaeshi, Shoji; Bulletin of the Chemical Society of Japan 1989, V62(2), P439-43 CAPLUS
  3. (3) Datta, Rasik L.; Journal of the American Chemical Society 1917, V39, P435-41 CAPLUS
  4. (4) Sosnowski, Maciej; Molecules 2005, V10(2), P401-406 CAPLUS
  5. (5) Bushby, Richard J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1986, (4), P721-3 CAPLUS
  6. (9) Varma, Phuldeo Sahay; Journal of the Indian Chemical Society 1935, V12, P343-4 CAPLUS
  7. (10) Suzuki, Hitomi; Bulletin of the Chemical Society of Japan 1963, V36, P389-91 CAPLUS
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