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Name |
2,4-Pyrimidinediamine, 6-(4-chlorophenyl)- |
EINECS | N/A |
CAS No. | 175137-09-4 | Density | 1.399 g/cm3 |
PSA | 77.82000 | LogP | 3.12380 |
Solubility | N/A | Melting Point |
158 °C |
Formula | C10H9ClN4 | Boiling Point | 520.1 °C at 760 mmHg |
Molecular Weight | 220.661 | Flash Point | 268.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Pyrimidine,2,4-diamino-6-(p-chlorophenyl)- (5CI);2,4-Diamino-6-(4-chlorophenyl)pyrimidine; |
This chemical is called 2,4-Pyrimidinediamine, 6-(4-chlorophenyl)-, and its systematic name is 6-(4-chlorophenyl)pyrimidine-2,4-diamine. With the molecular formula of C10H9ClN4, its molecular weight is 220.66. The CAS registry number of this chemical is 175137-09-4.
Other characteristics of the 2,4-Pyrimidinediamine, 6-(4-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.26; (7)ACD/KOC (pH 5.5): 14.24; (8)ACD/KOC (pH 7.4): 125.46; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 60.39 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 23.94×10-24cm3; (17)Surface Tension: 70.2 dyne/cm; (18)Density: 1.399 g/cm3; (19)Flash Point: 268.4 °C; (20)Enthalpy of Vaporization: 79.3 kJ/mol; (21)Boiling Point: 520.1 °C at 760 mmHg; (22)Vapour Pressure: 6.41E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(cc1)c2nc(nc(c2)N)N
2.InChI: InChI=1/C10H9ClN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)
3.InChIKey: RGQMMCAWKASJGS-UHFFFAOYAV