(2Z)-2-(1-Nitrosoethylidene)-1H-pyridine supplier

Name
1-PYRIDIN-2-YLETHAN-1-ONE OXIME
EINECS
CAS No. 1758-54-9
Article Data37
CAS DataBase
Density 1.11 g/cm³
Solubility Slightly soluble in water.
Melting Point 117 °C
Formula C₇H₈N₂O
Boiling Point 209.4 °C at 760 mmHg
Molecular Weight 136.153
Flash Point 80.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms (2Z)-2-(1-Nitrosoethylidene)-1, 2-dihydropyridine;
PSA 45.48000
LogP 1.27980

(2Z)-2-(1-Nitrosoethylidene)-1H-pyridine Specification

The IUPAC name of this product is (2Z)-2-(1-Nitrosoethylidene)-1H-pyridine, with the CAS registry number of 1758-54-9. It is also known as (2Z)-2-(1-Nitrosoethylidene)-1, 2-dihydropyridine. This chemical's molecular formula is C₇H₈N₂O and molecular weight is 136.1512.

Physical properties about (2Z)-2-(1-Nitrosoethylidene)-1H-pyridine are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 3.31; (7)ACD/KOC (pH 5.5): 81.93; (8)ACD/KOC (pH 7.4): 81.93; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 39.02 cm³; (15)Molar Volume: 122.3 cm³; (16)Polarizability: 15.47×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 80.5 °C; (20)Enthalpy of Vaporization: 44.57 kJ/mol; (21)Boiling Point: 209.4 °C at 760 mmHg; (22)Vapour Pressure: 0.203 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N\C(=C1\C=C/C=C\N1)C
(2) InChI: InChI=1/C7H8N2O/c1-6(9-10)7-4-2-3-5-8-7/h2-5,8H,1H3/b7-6-
(3) InChIKey: KWYHBFKEFFMBHW-SREVYHEPBN

Product Name

1-PYRIDIN-2-YLETHAN-1-ONE OXIME

(2Z)-2-(1-Nitrosoethylidene)-1H-pyridine Specification

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