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| CAS No.: | 310400-38-5 |
|---|---|
| Name: | 5,6-dichloropyrimidin-4-amine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H3Cl2N3 |
| Molecular Weight: | 163.994 |
| Synonyms: | 5,6-Dichloropyrimidin-4-amine;4-pyrimidinamine, 5,6-dichloro-; |
| Density: | 1.606 g/cm3 |
| Boiling Point: | 301.8 °C at 760 mmHg |
| Flash Point: | 136.3 °C |
| Solubility: | Slightly soluble in water. |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 51.80000 |
| LogP: | 1.94680 |
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Specification
The 5,6-dichloropyrimidin-4-amine, with the CAS registry number 310400-38-5, has the systematic name of 5,6-dichloropyrimidin-4-amine. It belongs to the product category of Halide. And the molecular formula of the chemical is C4H3Cl2N3.
The characteristics of 5,6-dichloropyrimidin-4-amine are as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 51.8 Å2; (9)Index of Refraction: 1.633; (10)Molar Refractivity: 36.46 cm3; (11)Molar Volume: 102 cm3; (12)Polarizability: 14.45×10-24cm3; (13)Surface Tension: 68 dyne/cm; (14)Density: 1.606 g/cm3; (15)Flash Point: 136.3 °C; (16)Enthalpy of Vaporization: 54.19 kJ/mol; (17)Boiling Point: 301.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00103 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1nc(c(c(n1)Cl)Cl)N
(2)InChI: InChI=1/C4H3Cl2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
(3)InChIKey: ISTJUVRUUBNZNB-UHFFFAOYAI