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| CAS No.: | 933702-55-7 |
|---|---|
| Name: | 2-Chloropyrimidine-5-carbaldehyde |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H3ClN2O |
| Molecular Weight: | 142.545 |
| Synonyms: | 5-pyrimidinecarboxaldehyde, 2-chloro-; |
| Density: | 1.432g/cm3 |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| PSA: | 42.85000 |
| LogP: | 0.94250 |
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Specification
The 2-Chloropyrimidine-5-carbaldehyde with cas registry number of 933702-55-7, belongs to the following product categories: (1)Building Blocks; (2)Pyrimidine. Its systematic name and its IUPAC name are the same, which is 2-chloropyrimidine-5-carbaldehyde. Besides this, it is also named 5-pyrimidinecarboxaldehyde, 2-chloro-.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18.12; (5)ACD/KOC (pH 7.4): 18.12; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.85 Å2; (10)Index of Refraction: 1.6; (11)Molar Refractivity: 34.08 cm3; (12)Molar Volume: 99.4 cm3; (13)Polarizability: 13.51×10-24cm3; (14)Surface Tension: 59.6 dyne/cm; (15)Enthalpy of Vaporization: 55.97 kJ/mol; (16)Vapour Pressure: 0.000367 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(Cl)nc1
(2)InChI: InChI=1/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
(3)InChIKey: LJYQVOPFBNMTKJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
(5)Std. InChIKey: LJYQVOPFBNMTKJ-UHFFFAOYSA-N