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| CAS No.: | 38275-56-8 |
|---|---|
| Name: | 2-Pyrimidinecarbonitrile, 5-chloro- (9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H2ClN3 |
| Molecular Weight: | 139.54 |
| Synonyms: | 2-Cyano-5-chloropyrimidine; |
| Density: | 1.44 g/cm3 |
| Melting Point: | 78 °C |
| Boiling Point: | 292 °C at 760 mmHg |
| Flash Point: | 130.4 °C |
| PSA: | 49.57000 |
| LogP: | 1.00168 |
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Specification
The 2-Pyrimidinecarbonitrile,5-chloro-, with CAS registry number 38275-56-8, belongs to the following product category: Pyrimidine. It has the systematic name of 5-chloropyrimidine-2-carbonitrile. Besides this, it is also called 5-Chloropyrimidine-2-carbonitrile,purity:97% min(HPLC). And the chemical formula of this chemical is C5H2ClN3.
Physical properties of 2-Pyrimidinecarbonitrile,5-chloro-: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å2; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 31.74 cm3; (9)Molar Volume: 97 cm3; (10)Polarizability: 12.58×10-24cm3; (11)Surface Tension: 70.6 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 130.4 °C; (14)Enthalpy of Vaporization: 53.14 kJ/mol; (15)Boiling Point: 292 °C at 760 mmHg; (16)Vapour Pressure: 0.00189 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(C#N)nc1
(2)InChI: InChI=1/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(3)InChIKey: XCZYVEHAGNDPGY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
(5)Std. InChIKey: XCZYVEHAGNDPGY-UHFFFAOYSA-N