Product Name

  • Name

    ETHYL 4-METHYLOXAZOLE-2-CARBOXYLATE

  • EINECS
  • CAS No. 90892-99-2
  • Article Data2
  • CAS DataBase
  • Density 1.14 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H9NO3
  • Boiling Point 218.083 °C at 760 mmHg
  • Molecular Weight 155.153
  • Flash Point 85.694 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 90892-99-2 (ETHYL 4-METHYLOXAZOLE-2-CARBOXYLATE)
  • Hazard Symbols
  • Synonyms ETHYL 4-METHYLOXAZOLE-2-CARBOXYLATE;ethyl 4-methyl-1,3-oxazole-2-carboxylate;2-Oxazolecarboxylic acid, 4-Methyl-, ethyl ester;4-Methyl-2-oxazolecarboxylic acid ethyl ester;4-Methyl-oxazole-2-carboxylic acid ethyl ester
  • PSA 52.33000
  • LogP 1.15970

2-Oxazolecarboxylicacid,4-methyl-,ethyl ester Specification

The 2-Oxazolecarboxylicacid,4-methyl-,ethyl ester, with CAS registry number 90892-99-2, has the systematic name of 2,5-dibromopyridin-3-amine. And its IUPAC name is ethyl 4-methyl-1,3-oxazole-2-carboxylate. Besides these, it is also called 3-pyridinamine, 2,5-dibromo-. And the chemical formula of this chemical is C7H9NO3.

Physical properties of 2-Oxazolecarboxylicacid,4-methyl-,ethyl ester: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.32; (6)ACD/BCF (pH 7.4): 68.32; (7)ACD/KOC (pH 5.5): 715.78; (8)ACD/KOC (pH 7.4): 715.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 43.96 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 17.42×10-24cm3; (17)Surface Tension: 61.3 dyne/cm; (18)Enthalpy of Vaporization: 56.71 kJ/mol; (19)Vapour Pressure: 0.000237 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonochloridic acid ethyl ester and 4-methyl-2-trimethylsilyl-oxazole. This reaction will need solvent benzene. The reaction time is 4 hour(s) with reaction temperature of 80 ℃. The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(Br)c(N)c1
(2)InChI: InChI=1/C5H4Br2N2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
(3)InChIKey: VHGBUYMPBFPXQM-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H4Br2N2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
(5)Std. InChIKey: VHGBUYMPBFPXQM-UHFFFAOYSA-N

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