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| CAS No.: | 98645-43-3 |
|---|---|
| Name: | 2-CHLORO-4-METHOXYNICOTINONITRILE |
| Molecular Structure: | |
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| Formula: | C7H5ClN2O |
| Molecular Weight: | 168.583 |
| Synonyms: | 2-Chloro-4-methoxy-3-pyridinecarbonitrile;2-Chloro-4-methoxynicotinonitrile; |
| EINECS: | -0 |
| Density: | 1.33 g/cm3 |
| Melting Point: | 175-176 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 318.3 °C at 760 mmHg |
| Flash Point: | 146.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25-37/38-41 |
| Safety: | 26-39-45 |
| PSA: | 45.91000 |
| LogP: | 1.61528 |
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Specification
The 2-Chloro-3-cyano-4-methoxypyridine, with the CAS registry number 98645-43-3, has the systematic name of 2-chloro-4-methoxypyridine-3-carbonitrile. And its product categories are various, including Blocks, Carboxes and Pyridines. What's more, it is a kind of air-sensitive compound which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place. Besides, it can be used as chemical reagent.
The characteristics of 2-Chloro-3-cyano-4-methoxypyridine are as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.69; (6)ACD/BCF (pH 7.4): 17.69; (7)ACD/KOC (pH 5.5): 272.07; (8)ACD/KOC (pH 7.4): 272.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.91 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 40.31 cm3; (15)Molar Volume: 126.6 cm3; (16)Polarizability: 15.98×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 55.98 kJ/mol; (21)Boiling Point: 318.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000365 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1c(OC)ccnc1Cl
(2)InChI: InChI=1/C7H5ClN2O/c1-11-6-2-3-10-7(8)5(6)4-9/h2-3H,1H3
(3)InChIKey: MOKUXMQJIYHZCA-UHFFFAOYAR