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CAS Number: 103441-60-7
methyl 2-iodo-3-methylbenzoate

Structure

methyl 2-iodo-3-methylbenzoate
Name: methyl 2-iodo-3-methylbenzoate
Synonyms:
General Information
Product Number: 103441607

CAS Registry Number 103441-60-7
Name:
Benzoic acid, 2-​iodo-​3-​methyl-​, methyl ester
m-Toluic acid, 2-iodo-, methyl ester (6CI)
2-Iodo-3-methylbenzoic acid methyl ester
2-Iodo-m-toluic acid methyl ester
Methyl 2-iodo-3-methylbenzoate

 

Chemical Formula: C9H9IO2
Exact Mass: 275.96
Molecular Weight: 276.07
m/z: 275.96 (100.0%), 276.97 (9.9%)

 

InChI:InChI=1S/C9H9IO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,1-2H3

InChI Key:HQVMBKJRAJYZQK-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1I)C(=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 130-140 °C Press: 5 Torr (1)IC
Boiling Point 78 °C Press: 0.04 Torr (2)CAS
Boiling Point 68 °C Press: 0.06 Torr (2)CAS

Specification

98%

References
  1. (1) Kano, Shigeyoshi; Bulletin of the Chemical Society of Japan 1987, V60(10), P3659-62 CAPLUS
  2. (2) Wen, Jian-Feng; Journal of Organic Chemistry 2003, V68(23), P8918-8931 CAPLUS
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