4-Chloro-7-methoxy-2-(phenyl)quinoline supplier

Name
4-Chloro-7-methoxy-2-phenylquinoline
EINECS
CAS No. 189816-05-5
Article Data10
CAS DataBase
Density 1.237 g/cm³
Solubility
Melting Point 96-99 °C
Formula C₁₆H₁₂ClNO
Boiling Point 414.285 °C at 760 mmHg
Molecular Weight 269.73
Flash Point 204.353 °C
Transport Information
Appearance liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-7-methoxy-2-(phenyl)quinoline;
PSA 22.12000
LogP 4.56380

4-Chloro-7-methoxy-2-(phenyl)quinoline Specification

The Quinoline, 4-chloro-7-methoxy-2-phenyl-, with the CAS registry number 189816-05-5, is also known as 4-Chloro-7-methoxy-2-(phenyl)quinoline. This chemical's molecular formula is C₁₆H₁₂ClNO and molecular weight is 269.73. What's more, its IUPAC name is 4-Chloro-7-methoxy-2-phenylquinoline.

Physical properties about Quinoline, 4-chloro-7-methoxy-2-phenyl- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2682; (6)ACD/BCF (pH 7.4): 2700; (7)ACD/KOC (pH 5.5): 9883; (8)ACD/KOC (pH 7.4): 9949; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 78.352 cm³; (15)Molar Volume: 218.011 cm³; (16)Polarizability: 31.061×10^-24 cm³; (17)Surface Tension: 47.108 dyne/cm; (18)Density: 1.237 g/cm³; (19)Flash Point: 204.353 °C; (20)Enthalpy of Vaporization: 64.129 kJ/mol; (21)Boiling Point: 414.285 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c3ccc(OC)cc3nc(c1)c2ccccc2
(2) InChI: InChI=1/C16H12ClNO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
(3) InChIKey: BAZSITKSXXHTNS-UHFFFAOYAB

Product Name

4-Chloro-7-methoxy-2-phenylquinoline

4-Chloro-7-methoxy-2-(phenyl)quinoline Specification

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