2-Quinazolinecarboxylicacid, 4,6-dichloro-, ethyl ester supplier

Name
ETHYL 4,6-DICHLOROQUINAZOLINE-2-CARBOXYLATE
EINECS
CAS No. 150449-99-3
Article Data2
CAS DataBase
Density 1.439 g/cm³
Solubility
Melting Point
Formula C₁₁H₈Cl₂N2O₂
Boiling Point 411.7 °C at 760 mmHg
Molecular Weight 271.103
Flash Point 202.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,6-Dichloro-quinazoline-2-carboxylic acid ethyl ester;
PSA 52.08000
LogP 3.11330

2-Quinazolinecarboxylicacid, 4,6-dichloro-, ethyl ester Specification

The 2-Quinazolinecarboxylicacid, 4,6-dichloro-, ethyl ester, with the CAS registry number 150449-99-3, is also known as 4,6-Dichloro-quinazoline-2-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₁H₈Cl₂N2O₂ and molecular weight is 271.0994. What's more, its systematic name is Ethyl 4,6-dichloroquinazoline-2-carboxylate.

Physical properties about 2-Quinazolinecarboxylicacid, 4,6-dichloro-, ethyl ester are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.79; (6)ACD/BCF (pH 7.4): 135.79; (7)ACD/KOC (pH 5.5): 1170.37; (8)ACD/KOC (pH 7.4): 1170.37; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 66.47 cm³; (15)Molar Volume: 188.2 cm³; (16)Polarizability: 26.35×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.439 g/cm³; (19)Flash Point: 202.8 °C; (20)Enthalpy of Vaporization: 66.42 kJ/mol; (21)Boiling Point: 411.7 °C at 760 mmHg; (22)Vapour Pressure: 5.47E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c2nc1ccc(Cl)cc1c(Cl)n2
(2) InChI: InChI=1/C11H8Cl2N2O2/c1-2-17-11(16)10-14-8-4-3-6(12)5-7(8)9(13)15-10/h3-5H,2H2,1H3
(3) InChIKey: NOPBSKCNIZYGHU-UHFFFAOYAP

Product Name

ETHYL 4,6-DICHLOROQUINAZOLINE-2-CARBOXYLATE

2-Quinazolinecarboxylicacid, 4,6-dichloro-, ethyl ester Specification

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