BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER
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BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER
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CAS No:
103440-54-6
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Formula:
C9H9IO2
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Chemical Name:
BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER
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Synonyms:
BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER;Methyl 5-iodo-2-Methylbenzoate;5-iodo-2-Methylbenzoic acid Methyl ester;Methyl 2-methyl-5-iodobenzoate
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CAS No:
Characteristics
26.3
3.4
1.666±0.06 g/cm3(Predicted)
60℃
290.4±28.0 °C(Predicted)
129.4±24.0 °C
1.588
BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER Use and Manufacturing
Preparation 42 Methyl 5-iodo-2-methylbenzoate To a solution of 5-iodo-2-methylbenzoic acid (86 g, 0.57 mol) in MeOH (0.5 L) was added thionyl chloride (74 g, 0.62 mol) dropwise at 0°C, and after complete addition the reaction was heated to reflux for 2 hours. The reaction was cooled, concentrated in vacuo, diluted with water and extracted into EtOAc (2 x 300 ml_). The organic layers were combined, washed with brine, dried over Na
Computed Properties
Molecular Weight:276.07
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:275.96473
Monoisotopic Mass:275.96473
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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BENZOIC ACID, 5-IODO-2-METHYL-, METHYL ESTER
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