5-Fornyl-3-pyridinecarbonitrile supplier

Name
5-Fornyl-3-pyridinecarbonitrile
EINECS
CAS No. 70416-53-4
Article Data7
CAS DataBase
Density 1.242 g/cm³
Solubility
Melting Point
Formula C₇H₄N₂O
Boiling Point 229.342 °C at 760 mmHg
Molecular Weight 132.1195
Flash Point 92.503 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Formylpyridine-3-carbonitrile;5-Formylpyridine-3-carbonitrile;5-Formylnicotinonitrile;
PSA 53.75000
LogP 0.76578

5-Fornyl-3-pyridinecarbonitrile Specification

The 5-Fornyl-3-pyridinecarbonitrile with CAS registry number of 70416-53-4 is also called 5-Formylnicotinonitrile. The IUPAC name is 5-formylpyridine-3-carbonitrile. In addition, the formula is C₇H₄N₂O and the molecular weight is 132.1195.

Physical properties about 5-Fornyl-3-pyridinecarbonitrile are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.75 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.088 cm³; (15)Molar Volume: 106.401 cm³; (16)Polarizability: 13.513 ×10^-24cm³; (17)Surface Tension: 59.695 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 92.503 °C; (20)Enthalpy of Vaporization: 46.595 kJ/mol; (21)Boiling Point: 229.342 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C=O)cnc1
(2)InChI: InChI=1/C7H4N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-5H
(3)InChIKey: RWPAJIVRGSWZAB-UHFFFAOYAY

Product Name

5-Fornyl-3-pyridinecarbonitrile

5-Fornyl-3-pyridinecarbonitrile Specification

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