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Benzoic acid,4-iodo-3-methyl-, methyl ester

  • Name Benzoic acid,4-iodo-3-methyl-, methyl ester
  • EINECSN/A
  • CAS No. 5471-81-8
  • Density1.666 g/cm3
  • PSA26.30000
  • LogP2.38620
  • SolubilityN/A
  • Melting Point59-62 °C
  • FormulaC9H9IO2
  • Boiling Point299 °C at 760 mmHg
  • Molecular Weight276.074
  • Flash Point134.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety24/25
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 5471-81-8 (METHYL 4-IODO-3-METHYLBENZOATE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data9

Benzoic acid,4-iodo-3-methyl-, methyl ester Specification

The Benzoic acid,4-iodo-3-methyl-, methyl ester, with the CAS registry number 5471-81-8, is also known as 4-Iodo-3-methylbenzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; Acids & Esters; Iodine Compounds. This chemical's molecular formula is C9H9IO2 and molecular weight is 276.07. Its IUPAC name is called methyl 4-iodo-3-methylbenzoate. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.

Physical properties of Benzoic acid,4-iodo-3-methyl-, methyl ester: (1)ACD/LogP: 3.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.588; (5)Molar Refractivity: 55.75 cm3; (6)Molar Volume: 165.6 cm3; (7)Surface Tension: 43.4 dyne/cm; (8)Density: 1.666 g/cm3; (9)Flash Point: 134.6 °C; (10)Enthalpy of Vaporization: 53.89 kJ/mol; (11)Boiling Point: 299 °C at 760 mmHg; (12)Vapour Pressure: 0.00123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OC)I
(2)InChI: InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
(3)InChIKey: HCSGWQGKCVQIRM-UHFFFAOYSA-N

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