- 4-Pyrimidinecarbonitrile
- 4-Pyrimidinecarbonitrile, 2-chloro-6-methyl-
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| Name |
4-Pyrimidinecarbonitrile, 2-chloro-6-methyl- |
EINECS | N/A |
| CAS No. | 16858-56-3 | Density | 1.358 g/cm3 |
| PSA | 49.57000 | LogP | 1.31008 |
| Solubility | N/A | Melting Point |
45-46 °C(Solv: ligroine (8032-32-4)) |
| Formula | C6H4ClN3 | Boiling Point | 324.52 °C at 760 mmHg |
| Molecular Weight | 153.56906 | Flash Point | 150.064 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Chloro-6-methylpyrimidine-4-carbonitrile; |
4-Pyrimidinecarbonitrile, 2-chloro-6-methyl- Specification
The CAS registry number of 4-Pyrimidinecarbonitrile, 2-chloro-6-methyl- is 16858-56-3. This chemical's molecular formula is C6H4ClN3 and molecular weight is 153.56906. What's more, its IUPAC name is 2-Chloro-6-methylpyrimidine-4-carbonitrile.
Physical properties about 4-Pyrimidinecarbonitrile, 2-chloro-6-methyl-are: (1)ACD/LogP: 0.15; (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: 1.556; (8)Molar Refractivity: 36.368 cm3; (9)Molar Volume: 113.117 cm3; (10)Polarizability: 14.417×10-24 cm3; (11)Surface Tension: 63.67 dyne/cm; (12)Density: 1.358 g/cm3; (13)Flash Point: 150.064 °C; (14)Enthalpy of Vaporization: 56.655 kJ/mol; (15)Boiling Point: 324.52 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(C)nc(Cl)n1
(2) InChI: InChI=1/C6H4ClN3/c1-4-2-5(3-8)10-6(7)9-4/h2H,1H3
(3) InChIKey: SDYFYBAYSDNFRP-UHFFFAOYAH
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