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CAS Number: 35387-94-1
2-iodo-1-methoxy-3-methylbenzene

Structure

2-iodo-1-methoxy-3-methylbenzene
Name: 2-iodo-1-methoxy-3-methylbenzene
Synonyms:
General Information
Product Number: 35387941

CAS Registry Number 35387-94-1
Name:
Benzene, 2-​iodo-​1-​methoxy-​3-​methyl-
Anisole, 2-iodo-3-methyl- (7CI)
2-Iodo-3-methoxytoluene
2-Iodo-3-methylanisole

 

Chemical Formula: C8H9IO
Exact Mass: 247.97
Molecular Weight: 248.06
m/z: 247.97 (100.0%), 248.97 (8.7%)

 

InChI:InChI=1S/C8H9IO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,1-2H3

InChI Key:PUSZVWBYGSSEJV-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 99 °C Press: 1 Torr (1)CAS
Boiling Point 93-98 °C Press: 1.5 Torr (2)CAS
Melting Point 49 °C   (1)CAS
Melting Point 45 °C   (2)CAS
Melting Point 43-44 °C   (3)CAS

Specification

98%

References
  1. (1) Sugii, Yoshio; Yakugaku Zasshi 1934, V54, P829-44(in German 149-53) CAPLUS
  2. (2) Smolinsky, Gerald; Journal of the American Chemical Society 1961, V83, P2489-93 CAPLUS
  3. (3) O'Keefe, B. Michael; Organic Letters 2008, V10(22), P5301-5304 CAPLUS
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