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588-95-4

Basic Information
CAS No.: 588-95-4
Name: 4-FLUOROBENZALDEHYDE OXIME
Article Data: 9
Molecular Structure:
Molecular Structure of 588-95-4 (4-FLUOROBENZALDEHYDE OXIME)
Formula: C7H6FNO
Molecular Weight: 139.129
Synonyms: Benzaldehyde,p-fluoro-, oxime, (Z)- (8CI);(Z)-4-Fluorobenzaldehyde oxime;
EINECS: 209-628-1
Density: 1.14 g/cm3
Melting Point: 82-85 °C (lit.)
Boiling Point: 194.9 °C at 760 mmHg
Flash Point: 71.7 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
PSA: 32.59000
LogP: 1.63380
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  • 4-fluorobenzaldehyde oxime  CAS NO.588-95-4

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    4-fluorobenzaldehyde oxime CAS NO.588-95-4

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Specification

The Benzaldehyde,4-fluoro-, oxime, [C(Z)]-, with the CAS registry number of 588-95-4, is also known as p-Fluorobenzaldehyde oxime. It belongs to the product category of Fluorine Compounds. Its EINECS registry number is 209-628-1. This chemical's molecular formula is C7H6FNO and molecular weight is 139.127. What's more, its IUPAC name is (NE)-N-[(4-Fluorophenyl)methylidene]hydroxylamine.

Physical properties about Benzaldehyde,4-fluoro-, oxime, [C(Z)]- 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)Surface Tension: 35 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 71.7 °C; (19)Enthalpy of Vaporization: 45.58 kJ/mol; (20)Boiling Point: 194.9 °C at 760 mmHg; (21)Vapour Pressure: 0.27 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. During using it, 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