CAS No.1194-99-6,AKOS B006530 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1194-99-6
Name:	AKOS B006530
Article Data:	23

Formula:	C₇H₈N₂O
Molecular Weight:	136.153
Synonyms:	Ketone,methyl 4-pyridyl, oxime (7CI,8CI);1-(4-Pyridinyl)ethanone oxime;4-Acetylpyridine oxime;4-Pyridyl methyl ketone oxime;NSC 63918;
Density:	1.11 g/cm³
Melting Point:	156-157 °C
Boiling Point:	277.128 °C at 760mmHg
Flash Point:	121.403 °C
Appearance:	light yellow to dark yellow liquid
PSA:	45.48000
LogP:	1.27980

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Specification

The Ethanone,1-(4-pyridinyl)-, oxime, with the CAS registry number 1194-99-6, is also known as 4-Acetylpyridine oxime. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₇H₈N₂O and molecular weight is 136.15. What's more, its IUPAC name is 4-(1-Nitrosoethylidene)-1H-pyridine.

Physical properties about Ethanone,1-(4-pyridinyl)-, oxime: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.842; (4)ACD/LogD (pH 7.4): 0.876; (5)ACD/BCF (pH 5.5): 2.518; (6)ACD/BCF (pH 7.4): 2.726; (7)ACD/KOC (pH 5.5): 65.828; (8)ACD/KOC (pH 7.4): 71.266; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.48 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 39.028 cm³; (15)Molar Volume: 122.363 cm³; (16)Surface Tension: 39.875 dyne/cm; (17)Density: 1.113 g/cm³; (18)Flash Point: 121.403 °C; (19)Enthalpy of Vaporization: 54.47 kJ/mol; (20)Boiling Point: 277.128 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C; (22)Melting point: 156-157 °C.

Preparation of Ethanone,1-(4-pyridinyl)-, oxime: it can be obtained by 1-Pyridin-4-yl-ethanone. The reaction occurs with reagent NH₂OH. The yield is 87%.

Ethanone,1-(4-pyridinyl)-, oxime can be obtained by 1-Pyridin-4-yl-ethanone

Uses of Ethanone,1-(4-pyridinyl)-, oxime: it is used to produce other chemicals. For example, it can react with Ethyne to get 4-Pyrrol-2-yl-pyridine. The reaction occurs with reagent KOH and solvent dimethylsulfoxide at temperature of 80-85°C for 3.5 hours. The yield is 42%.

Ethanone,1-(4-pyridinyl)-, oxime can react with Ethyne to get 4-Pyrrol-2-yl-pyridine

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=NO)c1ccncc1
(2) InChI: InChI=1/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3
(3) InChIKey: OZJWWTXSMXGPMI-UHFFFAOYAV