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CAS No.: | 3842-53-3 |
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Name: | 4-chloro-6-phenyl-1,3,5-triazin-2-amine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H7ClN4 |
Molecular Weight: | 206.634 |
Synonyms: | s-Triazine,2-amino-4-chloro-6-phenyl- (6CI,7CI,8CI); |
Density: | 1.39 g/cm3 |
Melting Point: | 212-216°C |
Boiling Point: | 460 °C at 760mmHg |
Flash Point: | 232 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 65.42000 |
LogP: | 1.70430 |
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The systematic name of this product is 4-chloro-6-phenyl-1,3,5-triazin-2-amine. With the CAS registry number 3842-53-3, it is also named as 1,3,5-Triazin-2-amine,4-chloro-6-phenyl-; 2-amino-4-chloro-6-phenyl-S-triazine. In addition, the price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.7; (6)ACD/BCF (pH 7.4): 10.7; (7)ACD/KOC (pH 5.5): 189.82; (8)ACD/KOC (pH 7.4): 189.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 54.24 cm3; (14)Molar Volume: 148.6 cm3; (15)Polarizability: 21.5×10-24 cm3; (16)Surface Tension: 66.7 dyne/cm; (17)Density: 1.39 g/cm3; (18)Enthalpy of Vaporization: 72.06 kJ/mol; (19)Boiling Point: 460 °C at 760 mmHg; (20)Vapour Pressure: 1.21E-08 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc1nc(nc(n1)N)c2ccccc2;
2. InChI: InChI=1/C9H7ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14).