CAS No.459-23-4,4-FLUOROBENZALDEHYDE OXIME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	459-23-4
Name:	4-FLUOROBENZALDEHYDE OXIME
Article Data:	31

Formula:	C₇H₆FNO
Molecular Weight:	139.129
Synonyms:	p-Fluorobenzaldehyde oxime;4-Fluorobenzaldoxime;
EINECS:	209-628-1
Density:	1.14 g/cm³
Melting Point:	82-85 °C
Boiling Point:	194.9 °C at 760 mmHg
Flash Point:	71.7 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	22
Safety:	36
PSA:	32.59000
LogP:	1.63380

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Specification

The Benzaldehyde, p-fluoro-, oxime, with the CAS registry number 459-23-4, is also known as syn-4-Fluorobenzaldoxime. It belongs to the product categories of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. This chemical's molecular formula is C₇H₆FNO and molecular weight is 139.13. What's more, its systematic name is called 4-Fluorobenzaldehyde oxime.

Physical properties about Benzaldehyde, p-fluoro-, oxime are: (1)ACD/LogP: 2.03; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.61; (6)ACD/BCF (pH 7.4): 20.61; (7)ACD/KOC (pH 5.5): 303.55; (8)ACD/KOC (pH 7.4): 303.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 36.02 cm³; (15)Molar Volume: 121.4 cm³; (16)Polarizability: 14.28×10^-24cm³; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 71.7 °C; (20)Enthalpy of Vaporization: 45.58 kJ/mol; (21)Boiling Point: 194.9 °C at 760 mmHg; (22)Vapour Pressure: 0.27 mmHg at 25 °C.

Preparation of Benzaldehyde, p-fluoro-, oxime: this chemical can be prepared by 4-fluoro-benzaldehyde. This reaction needs reagents NH₂OH*HCl and Na₂CO₃ at temperature of 60 °C for 1 hour.The solvents are ethanol and H₂O. The reaction equation is as followed:

Benzaldehyde, p-fluoro-, oxime can be prepared by 4-fluoro-benzaldehyde.

Uses of Benzaldehyde, p-fluoro-, oxime: it can be used to produce other chemicals. For example, it is used to produce 4-(4-fluorophenyl)-2,7-dioxa-3-azabicyclo[3,3,0]oct-3-ene. The reaction occurs with reagents 2,5-dihydro-furan, 11 percent sodium hypochlorite and triethylamine at 0 °C for 3 hours. The yield is 65 %. The reaction equation is as followed:

Benzaldehyde, p-fluoro-, oxime can be used to produce 4-(4-fluorophenyl)-2,7-dioxa-3-azabicyclo[3,3,0]oct-3-ene.

When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed. It is also irritanting and may cause inflammation to the skin or other mucous membranes. So we should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(\C=N\O)cc1
(2) InChI: InChI=1/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
(3) InChIKey: FSKSLWXDUJVTHE-WEVVVXLNBK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	750mg/kg (750mg/kg)		Medicina Experimentalis. Vol. 11, Pg. 137, 1964. Link to PubMed