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Home > Encyclopedia > 2-Iodo-5-methylbenzoic acid

2-Iodo-5-methylbenzoic acid

2-Iodo-5-methylbenzoic acid structure

2-Iodo-5-methylbenzoic acid 

structure
  • CAS No:

    52548-14-8

  • Formula:

    C8H7IO2

  • Chemical Name:

    2-Iodo-5-methylbenzoic acid

  • Synonyms:

    Benzoic acid,2-iodo-5-methyl-;2-Iodo-5-methylbenzoic acid;5-Methyl-2-iodobenzoic acid

  • Categories:

    Pharmaceutical Intermediates  >  Sleep Disorder Agents

Description

White solid

2-Iodo-5-methylbenzoic acid Basic Attributes

262.04

262.04

DTXSID30200536

2916399090

Characteristics

37.3

2.5

1.9±0.1 g/cm3

166 °C @ Solvent: Water

321.4°C at 760 mmHg

148.2±24.6 °C

1.646

Safety Information

LIGHT SENSITIVE

36/37/38

26-36/37/39

Xi

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Iodo-5-methylbenzoic acid Use and Manufacturing

The same procedure as in was carried out, except that 3-methylbenzoic acid (20 g, 0.15 mol) was used as the reactant in Example 1. A conversion of 3-methylbenzoic acid was 50 percent; the yields were 1) 40 percent for 6-iodo-3-methylbenzoic acid and 2) 8 percent for the regioisomers of other iodides; and a ratio of 1)/2) was 5.The same procedure as in was carried out, except that H-β zeolite was not used in A conversion of 3-methylbenzoic acid was 56 percent; the yields were 1) 33 percent for 6-iodo-3-methylbenzoic acid and 2) 16 percent for the regioisomers of other iodides; and a ratio of 1)/2) was 2.1.

Computed Properties

Molecular Weight:262.04
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:261.94908
Monoisotopic Mass:261.94908
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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