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CAS No.: | 13544-44-0 |
---|---|
Name: | 2, 4-DICHLORO-5-IODOPYRIMIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4HCl2IN2 |
Molecular Weight: | 274.876 |
Synonyms: | 5-Iodo-2,4-dichloropyrimidine;NSC 97872;2,4-dichlor-5-iodpyrimidin; |
EINECS: | 621-974-9 |
Density: | 2.255 g/cm3 |
Melting Point: | 68.0 to 72.0 °C |
Boiling Point: | 310.2 °C at 760 mmHg |
Flash Point: | 141.4 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 25.78000 |
LogP: | 2.38800 |
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The 2,4-Dichloro-5-iodopyrimidine, with the CAS registry number 13544-44-0, belongs to the following product categories: Pyrimidine series; Pharmacetical; Organohalides; Pyrimidine; Pyrimidines; Halides; Pyrazines, Pyrimidines & Pyridazines. And the molecular formula of this chemical is C4HCl2IN2.
The physical properties of 2,4-Dichloro-5-iodopyrimidine are as following: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 45.13 cm3; (9)Molar Volume: 121.8 cm3; (10)Polarizability: 17.89×10-24cm3; (11)Surface Tension: 62.7 dyne/cm; (12)Density: 2.255 g/cm3; (13)Flash Point: 141.4 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 310.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00111 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(nc(n1)Cl)Cl)I
(2)InChI: InChI=1/C4HCl2IN2/c5-3-2(7)1-8-4(6)9-3/h1H
(3)InChIKey: RGJNPJRAXMSHKN-UHFFFAOYAA