2-Chloro-4-phenyl-quinazoline supplier

Name
2-CHLORO-4-PHENYLQUINAZOLINE
EINECS
CAS No. 29874-83-7
Article Data45
CAS DataBase
Density 1.285 g/cm³
Solubility
Melting Point 111-113 °C
Formula C₁₄H₉ClN₂
Boiling Point 347.434 °C at 760 mmHg
Molecular Weight 240.692
Flash Point 194.779 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-phenyl-quinazoline;
PSA 25.78000
LogP 3.95020

2-Chloro-4-phenyl-quinazoline Specification

The 2-Chloro-4-phenyl-quinazoline, with the CAS registry number 29874-83-7, is also known as 2-Chloro-4-phenyl-quinazoline. This chemical's molecular formula is C₁₄H₉ClN₂ and molecular weight is 240.69. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-4-phenylquinazoline.

Physical properties about 2-Chloro-4-phenyl-quinazoline are: (1)ACD/LogP: 4.057; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 712.97; (6)ACD/BCF (pH 7.4): 712.98; (7)ACD/KOC (pH 5.5): 3835.57; (8)ACD/KOC (pH 7.4): 3835.60; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 69.765 cm³; (15)Molar Volume: 187.232 cm³; (16)Polarizability: 27.657×10^-24cm³; (17)Surface Tension: 54.461 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 194.779 °C; (20)Enthalpy of Vaporization: 56.833 kJ/mol; (21)Boiling Point: 347.434 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc1c(cccc1)c(n2)c3ccccc3
(2) InChI: InChI=1S/C14H9ClN2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H
(3) InChIKey: SFKMVPQJJGJCMI-UHFFFAOYSA-N

Product Name

2-CHLORO-4-PHENYLQUINAZOLINE

2-Chloro-4-phenyl-quinazoline Specification

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