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6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester

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  • Name 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester
  • EINECSN/A
  • CAS No. 155960-91-1
  • Density1.34 g/cm3
  • PSA72.05000
  • LogP1.09980
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H10N2O3
  • Boiling Point451.1 °C at 760 mmHg
  • Molecular Weight218.2087
  • Flash Point226.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 155960-91-1 (ethyl 3,4-dihydro-4-oxoquinazoline-6-carboxylate)
  • Hazard SymbolsN/A
  • SynonymsN/A

6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester Specification

The 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester is an organic compound with the formula C11H10N2O3. The IUPAC name of this chemical is Ethyl 4-oxo-1H-quinazoline-6-carboxylate. With the CAS registry number 155960-91-1, it is also named as Ethyl 3,4-dihydro-4-oxoquinazoline-6-carboxylate. The product's category is chiral chemicals. Besides, its molecular weight is 218.2087.

Physical properties about 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 67.76 Å2; (8)Index of Refraction: 1.622; (9)Molar Refractivity: 57.15 cm3; (10)Molar Volume: 162.2 cm3; (11)Polarizability: 22.65×10-24 cm3; (12)Surface Tension: 50.1 dyne/cm; (13)Density: 1.34 g/cm3; (14)Flash Point: 226.6 °C; (15)Enthalpy of Vaporization: 71.01 kJ/mol; (16)Boiling Point: 451.1 °C at 760 mmHg; (17)Vapour Pressure: 2.5E-08 mmHg at 25 °C.

Uses of 6-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester: it can be used to produce 4-chloro-quinazoline-6-carboxylic acid ethyl ester. It will need reagent POCl3 with reaction time of 3 hours. And this reaction will need heating.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
(2)InChIKey: PLBXHLDCTMXWKA-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C11H10N2O3/c1-2-16-11(15)7-3-4-9-8(5-7)10(14)13-6-12-9/h3-6H,2H2,1H3,(H,12,13,14)
(4)Std. InChIKey: PLBXHLDCTMXWKA-UHFFFAOYSA-N

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