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Basic Information

Molecular Structure:
CAS No.:	7028-48-0
Name:	phenylacetaldehyde oxime
Article Data:	61

Formula:	C₈H₉NO
Molecular Weight:	135.166
Synonyms:	Acetaldehyde,phenyl-, oxime (6CI,7CI,8CI);2-Phenylacetaldehyde oxime;2-Phenylethanaloxime;NSC 203259;Phenylacetaldehyde oxime;Phenylacetaldoxime;
EINECS:	230-309-8
Density:	1.004 g/cm³
Boiling Point:	272.444 °C at 760 mmHg
Flash Point:	159.077 °C
PSA:	32.59000
LogP:	1.68910

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Specification

The Benzeneacetaldehyde,oxime is an organic compound with the formula C₈H₉NO. The IUPAC name of this chemical is N-phenethylidenehydroxylamine. With the CAS registry number 7028-48-0, it is also named as phenylacetaldoxime. The product's classification codes are Agricultural Chemical; Insecticide; TSCA Flag P [A commenced PMN; (Premanufacture Notice) substance].

Physical properties about Benzeneacetaldehyde,oxime are: (1)ACD/LogP: 0.81; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 32.59 Å²; (6)Index of Refraction: 1.518; (7)Molar Refractivity: 40.768 cm³; (8)Molar Volume: 134.611 cm³; (9)Polarizability: 16.162×10^-24cm³; (10)Surface Tension: 37.833 dyne/cm; (11)Density: 1.004 g/cm³; (12)Flash Point: 159.077 °C; (13)Enthalpy of Vaporization: 53.951 kJ/mol; (14)Boiling Point: 272.444 °C at 760 mmHg; (15)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-nitro-vinyl)-benzene. This reaction will need reagent zinc dust, acetic acid.

Uses of Benzeneacetaldehyde,oxime: it can be used to produce phenethylamine. It will need reagent glacial acetic acid, alcohol, sodium amalgam.

You can still convert the following datas into molecular structure:
(1)SMILES: N(/O)=C\Cc1ccccc1
(2)InChI: InChI=1/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+
(3)InChIKey: CXISHLWVCSLKOJ-VQHVLOKHBB
(4)Std. InChI: InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+
(5)Std. InChIKey: CXISHLWVCSLKOJ-VQHVLOKHSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	338mg/kg (338mg/kg)		Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.