2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester supplier

Name
METHYL 4,7-DICHLORO-QUINOLINE-2-CARBOXYLATE
EINECS
CAS No. 643044-04-6
Article Data3
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₁₁H₇Cl₂NO₂
Boiling Point 377.3 °C at 760 mmHg
Molecular Weight 256.08
Flash Point 182 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4,7-dichloroquinoline-2-carboxylate;
PSA 39.19000
LogP 3.32820

2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester Specification

The 2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester has the CAS registry number 643044-04-6. This chemical's molecular formula is C₁₁H₇Cl₂NO₂ and molecular weight is 256.08. What's more, its systematic name is methyl 4,7-dichloroquinoline-2-carboxylate.

Physical properties of 2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 39.19 Å²; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 63.74 cm³; (11)Molar Volume: 178.5 cm³; (12)Polarizability: 25.27×10^-24cm³; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.434 g/cm³; (15)Flash Point: 182 °C; (16)Enthalpy of Vaporization: 62.51 kJ/mol; (17)Boiling Point: 377.3 °C at 760 mmHg; (18)Vapour Pressure: 6.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(c2ccc(cc2n1)Cl)Cl
(2)InChI: InChI=1S/C11H7Cl2NO2/c1-16-11(15)10-5-8(13)7-3-2-6(12)4-9(7)14-10/h2-5H,1H3
(3)InChIKey: BSWADGMXDJAZCP-UHFFFAOYSA-N

Product Name

METHYL 4,7-DICHLORO-QUINOLINE-2-CARBOXYLATE

2-Quinolinecarboxylic acid, 4,7-dichloro-, methyl ester Specification

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