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| CAS No.: | 22536-66-9 |
|---|---|
| Name: | 2-CHLOROPYRIMIDINE-4-CARBOXAMIDE |
| Article Data: | 9 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H4ClN3O |
| Molecular Weight: | 157.559 |
| Synonyms: | 2-Chloropyrimidine-4-carboxylic acid amide; |
| Density: | 1.478 g/cm3 |
| Boiling Point: | 454.7 °C at 760 mmHg |
| Flash Point: | 228.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 68.87000 |
| LogP: | 0.92920 |
- 22536-67-0Pyrimidine,2,5-dichloro-
- 22537-07-14-Penten-1-amine
- 22537-15-1Chlorine, atomic
- 22537-22-0Magnesium, ion (Mg2+)
- 2253-73-8Propane,2-isothiocyanato-
- 22537-52-6Tellurium, ion (Te6+)
- 225378-53-0Propanedinitrile,2-[2-(1,1-dimethylethyl)-6-methyl-4H-pyran-4-ylidene]-
- 225382-62-74-Chloro-6-iodothieno[3,2-d]pyrimidine
- 225385-03-5Thieno[3,2-d]pyrimidine,6-bromo-4-chloro-
- 225386-32-3L-Norleucine,N-methyl-N-[(phenylmethoxy)carbonyl]-
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Specification
The 4-Pyrimidinecarboxamide, 2-chloro-, with the CAS registry number 22536-66-9, is also known as 2-Chloropyrimidine-4-carboxylic acid amide. It belongs to the product categories of Building Blocks; Pyrimidine. This chemical's molecular formula is C5H4ClN3O and molecular weight is 157.5578. What's more, its IUPAC name is 2-Chloropyrimidine-4-carboxamide.
Physical properties about 4-Pyrimidinecarboxamide, 2-chloro- are: (1)ACD/LogP: -1.12; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.87; (6)ACD/KOC (pH 7.4): 5.87; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.09 Å2; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 36.26 cm3; (13)Molar Volume: 106.5 cm3; (14)Polarizability: 14.37×10-24 cm3; (15)Surface Tension: 67.9 dyne/cm; (16)Density: 1.478 g/cm3; (17)Flash Point: 228.8 °C; (18)Enthalpy of Vaporization: 71.43 kJ/mol; (19)Boiling Point: 454.7 °C at 760 mmHg; (20)Vapour Pressure: 1.87E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nc(Cl)ncc1)N
(2) InChI: InChI=1/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)
(3) InChIKey: UXXQEVFRPLIOHJ-UHFFFAOYAS