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Cas Database |
| Name |
5-Pyrimidinecarbonitrile,2,4,6-trichloro- |
EINECS | N/A |
| CAS No. | 3029-64-9 | Density | 1.74 g/cm3 |
| PSA | 49.57000 | LogP | 2.30848 |
| Solubility | N/A | Melting Point |
122-124℃ |
| Formula | C5Cl3N3 | Boiling Point | 320.8 °C at 760 mmHg |
| Molecular Weight | 208.434 | Flash Point | 147.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,4,6-Trichloro-5-cyanopyrimidine;5-cyano-2,4,6-trichloropyrimidine;2,3-DIHYDROBENZOFURAN-5-CARBOXYLIC ACID;2,4,6-trichloro-5-cyano-pyrimidine;trichloropyrimidine-5-carbonitrile;2,4,6-trichloro-5-pyrimidinecarbonitrile;2,4,6-Trichloropyrimidine-5-carbonitrile;2,4,6-trichloro-pyrimidine-5-carbonitrile; |
Article Data | 9 |
5-Pyrimidinecarbonitrile,2,4,6-trichloro- Specification
The CAS registry number of 5-Pyrimidinecarbonitrile,2,4,6-trichloro- is 3029-64-9. It belongs to the product category of Pharmacetical. This chemical is also known as 2,4,6-Trichloro-5-cyanopyrimidine. The molecular formula of it is C5Cl3N3 and molecular weight is 208.43. Its systematic name is called 2,4,6-trichloropyrimidine-5-carbonitrile.
Physical properties about this chemical are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.609; (7)Molar Refractivity: 41.39 cm3; (8)Molar Volume: 119.4 cm3; (9)Surface Tension: 78.4 dyne/cm; (10)Density: 1.74 g/cm3; (11)Flash Point: 147.8 °C; (12)Enthalpy of Vaporization: 56.25 kJ/mol; (13)Boiling Point: 320.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00031 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc(Cl)c1C#N
(2)InChI: InChI=1/C5Cl3N3/c6-3-2(1-9)4(7)11-5(8)10-3
(3)InChIKey: IAJCAZVXGKGAQK-UHFFFAOYAL
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