2-Chloro-5-cyanopyridine 1-oxide supplier

Name
2-Chloro-5-cyanopyridine 1-oxide
EINECS
CAS No. 401590-43-0
Density 1.349 g/cm³
Solubility
Melting Point
Formula C₆H₃ClN₂O
Boiling Point 397.818 °C at 760 mmHg
Molecular Weight 154.556
Flash Point 194.394 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarbonitrile, 6-chloro-, 1-oxide;
PSA
LogP

2-Chloro-5-cyanopyridine 1-oxide Specification

The 2-Chloro-5-cyanopyridine 1-oxide, with the CAS registry number 401590-43-0, is also known as 3-Pyridinecarbonitrile, 6-chloro-, 1-oxide. This chemical's molecular formula is C₆H₃ClN₂O and molecular weight is 154.556. What's more, its systematic name is 6-Chloropyridine-3-carbonitrile 1-oxide.

Physical properties about 2-Chloro-5-cyanopyridine 1-oxide are: (1)ACD/LogP: -0.97; (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; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 49.25 Å²; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 38.967 cm³; (13)Molar Volume: 114.607 cm³; (14)Polarizability: 15.448×10^-24 cm³; (15)Surface Tension: 51.489 dyne/cm; (16)Density: 1.349 g/cm³; (17)Flash Point: 194.394 °C; (18)Enthalpy of Vaporization: 64.831 kJ/mol; (19)Boiling Point: 397.818 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c[n+]([O-])c(Cl)cc1
(2) InChI: InChI=1/C6H3ClN2O/c7-6-2-1-5(3-8)4-9(6)10/h1-2,4H
(3) InChIKey: MBHGEDCAFRQQLI-UHFFFAOYAF

Product Name

2-Chloro-5-cyanopyridine 1-oxide

2-Chloro-5-cyanopyridine 1-oxide Specification

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