1-Pyridin-3-ylethanone oxime supplier

Name
1-(3-PYRIDYL)ETHAN-1-ONE OXIME
EINECS
CAS No. 5973-83-1
Article Data19
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 103 °C
Formula C₇H₈N₂O
Boiling Point 277.1 °C at 760 mmHg
Molecular Weight 136.153
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xn
Synonyms Ketone,methyl 3-pyridyl, oxime (7CI,8CI);3-Acetylpyridine oxime;NSC 72375;1-Pyridin-3-ylethanone oxime;
PSA 45.48000
LogP 1.27980

1-Pyridin-3-ylethanone oxime Specification

The IUPAC name of 1-Pyridin-3-ylethanone oxime is (NE)-N-(1-pyridin-3-ylethylidene)hydroxylamine. With the CAS registry number 5973-83-1, it is also named as 3-Acetylpyridine oxime. The product's category is Pharmacetical. In addition, its molecular formula is C₇H₈N₂O and its molecular weight is 136.15.

The other characteristics of 1-Pyridin-3-ylethanone oxime can be summarized as: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 1.65; (7)ACD/KOC (pH 5.5): 48.74; (8)ACD/KOC (pH 7.4): 49.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.48 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 39.02 cm³; (15)Molar Volume: 122.3 cm³; (16)Polarizability: 15.47×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 121.4 °C; (20)Melting Point: 103 °C; (21)Enthalpy of Vaporization: 54.47 kJ/mol; (22)Boiling Point: 277.1 °C at 760 mmHg; (23)Vapour Pressure: 0.00222 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O\N=C(\c1cccnc1)C
(2)InChI: InChI=1/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
(3)InChIKey: MSRXORUOQNNOKN-RMKNXTFCBP
(4)Std. InChI: InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
(5)Std. InChIKey: MSRXORUOQNNOKN-RMKNXTFCSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	parenteral	1480mg/kg (1480mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 690, 1955.

Product Name

1-(3-PYRIDYL)ETHAN-1-ONE OXIME

1-Pyridin-3-ylethanone oxime Specification

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