2-Chloro-4,6-diphenyl-1,3,5-triazine CAS NO.3842-55-5

1.Introduction of 3842-55-5
2-Chloro-4,6-diphenyl-1,3,5-triazine has the CAS registry number of 3842-55-5. It has synonyms of s-triazine,2-chloro-4,6-diphenyl- (6CI,7CI,

1.Introduction of 3842-55-5
2-Chloro-4,6-diphenyl-1,3,5-triazine has the CAS registry number of 3842-55-5. It has synonyms of s-triazine,2-chloro-4,6-diphenyl- (6CI,7CI,8CI); 2-chloro-4,6-bisphenyl-1,3,5-triazine; 2-chloro-4,6-diphenyl-1,3,5-triazine; 2-chloro-4,6-diphenyl-s-triazine; 6-chloro-2,4-diphenyl-s-triazine; NSC 231670. Our product in the market has the purity of 98.0%.

2.Properties of 3842-55-5

ACD/LogP: 5.257
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.26
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 5.5): 5828.67
ACD/BCF (pH 7.4): 5828.69
ACD/KOC (pH 5.5): 17257.85
ACD/KOC (pH 7.4): 17257.89
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
Polar Surface Area: 38.67?²
Index of Refraction: 1.623
Molar Refractivity: 74.605 cm³
Molar Volume: 211.625 cm³
Polarizability: 29.576 10-24cm³
Surface Tension: 53.4850006103516 dyne/cm
Density: 1.265 g/cm³
Flash Point: 279.207 °C
Enthalpy of Vaporization: 72.193 kJ/mol
Boiling Point: 485.072 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 3842-55-5

(1)InChI: InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-
10-12/h1-10H
(2)InChIKey: DDGPPAMADXTGTN-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC=C3