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CAS Number: 103440-53-5
methyl 4-iodo-2-methylbenzoate

Structure

methyl 4-iodo-2-methylbenzoate
Name: methyl 4-iodo-2-methylbenzoate
Synonyms:
General Information
Product Number: 103440535
CAS Registry Number: 103440-53-5
Name:
        Benzoic acid, 4-​iodo-​2-​methyl-​, methyl ester
        o-​Toluic acid, 4-​iodo-​, methyl ester (6CI); Methyl 4-​iodo-​2-​methylbenzoate 
 
Chemical Formula: C9H9IO2
Exact Mass: 275.96
Molecular Weight: 276.07
m/z: 275.96 (100.0%), 276.97 (9.9%)
Elemental Analysis: C, 39.16; H, 3.29; I, 45.97; O, 11.59
 
InChI: InChI=1S/C9H9IO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey: AMTCFHNIEBPFLM-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)I)C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 155 °C Press: 17 Torr (1)CAS

Specification

98%

References
  1. (1) Peltier, Daniel; Compt. rend. 1954, V237, P357 CAPLUS
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