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CAS No.: | 3177-24-0 |
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Name: | 2,4-Dichloro-5-cyanopyrimidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5HCl2N3 |
Molecular Weight: | 173.989 |
Synonyms: | 2,4-Dichloropyrimidine-5-carbonitrile;2,6-Dichloro-5-cyanopyrimidine; |
Density: | 1.607 g/cm3 |
Melting Point: | 62-63℃ |
Boiling Point: | 323.916 °C at 760 mmHg |
Flash Point: | 149.699 °C |
Safety: | 24/25 |
PSA: | 49.57000 |
LogP: | 1.65508 |
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The CAS register number of 5-Pyrimidinecarbonitrile,2,4-dichloro- is 3177-24-0. It also can be called as 2,4-Dichloro-5-cyanopyrimidine and the IUPAC name about this chemical is 2,4-dichloropyrimidine-5-carbonitrile. The molecular formula about this chemical is C5HCl2N3 and the molecular weight is 173.987540 g/mol. It belongs to the following product categories which include Boron, Nitrile, Thio,& TM-Cpds; Heterocycles; Pharmacetical and so on.
Physical properties about 5-Pyrimidinecarbonitrile,2,4-dichloro- are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 54; (7)ACD/KOC (pH 7.4): 54; (8)#H bond acceptors: 3; (9)Polar Surface Area: 49.57Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 36.572 cm3; (12)Molar Volume: 108.252 cm3; (13)Polarizability: 14.498x10-24cm3; (14)Surface Tension: 74.836 dyne/cm; (15)Flash Point: 149.699 °C; (16)Enthalpy of Vaporization: 56.589 kJ/mol; (17)Boiling Point: 323.916 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(nc(n1)Cl)Cl)C#N
(2)InChI: InChI=1/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
(3)InChIKey: KMHSUNDEGHRBNV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
(5)Std. InChIKey: KMHSUNDEGHRBNV-UHFFFAOYSA-N