2-Chloro-4,8-dimethylquinoline supplier

Name
2-Chloro-4,8-dimethylquinoline
EINECS
CAS No. 3913-17-5
Article Data9
CAS DataBase
Density 1.188 g/cm³
Solubility Slightly soluble in water.
Melting Point 65-67 °C
Formula C₁₁H₁₀ClN
Boiling Point 311.593 °C at 760 mmHg
Molecular Weight 191.66
Flash Point 171.292 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-CHLORO-4,8-DIMETHYLQUINOLINE;OTAVA-BB BB7018930012
PSA 12.89000
LogP 3.50500

2-Chloro-4,8-dimethylquinoline Specification

The 2-Chloro-4,8-dimethyl-quinoline, with CAS registry number 3913-17-5, has the systematic name of 2-(bromomethyl)-1-methoxy-4-nitrobenzene. Beside this, it is also called benzene, 2-(bromomethyl)-1-methoxy-4-nitro-. And the chemical formula of this chemical is C₁₁H₁₀ClN.

Physical properties of 2-Chloro-4,8-dimethyl-quinoline: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.04; (6)ACD/BCF (pH 7.4): 70.04; (7)ACD/KOC (pH 5.5): 728.66; (8)ACD/KOC (pH 7.4): 728.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 52.12 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 20.66×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 164.7 °C; (20)Enthalpy of Vaporization: 56.97 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 9.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(c1)CBr
(2)InChI: InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(3)InChIKey: JRHMPHMGOGMNDU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(5)Std. InChIKey: JRHMPHMGOGMNDU-UHFFFAOYSA-N

Product Name

2-Chloro-4,8-dimethylquinoline

2-Chloro-4,8-dimethylquinoline Specification

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