2-Chloro-3-cyano-4-methoxypyridine supplier

Name
2-CHLORO-4-METHOXYNICOTINONITRILE
EINECS -0
CAS No. 98645-43-3
Article Data8
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 175-176 °C(Solv: methanol (67-56-1))
Formula C₇H₅ClN₂O
Boiling Point 318.3 °C at 760 mmHg
Molecular Weight 168.583
Flash Point 146.3 °C
Transport Information
Appearance
Safety 26-39-45
Risk Codes 25-37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chloro-4-methoxy-3-pyridinecarbonitrile;2-Chloro-4-methoxynicotinonitrile;
PSA 45.91000
LogP 1.61528

2-Chloro-3-cyano-4-methoxypyridine 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

Product Name

2-CHLORO-4-METHOXYNICOTINONITRILE

2-Chloro-3-cyano-4-methoxypyridine Specification

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