Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy- supplier

Name
ALPHA-CHLORO-4-FLUOROBENZALDOXIME
EINECS
CAS No. 42202-95-9
Article Data84
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₇H₅ClFNO
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 173.574
Flash Point 116.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-N-hydroxybenzenecarboximidoylchloride;4-Fluoro-N-hydroxybenzimidoyl chloride;4-Fluorobenzenehydroximicacid chloride;4-Fluorobenzhydroximinoyl chloride;4-Fluorobenzoyl chlorideoxime;N-Hydroxy-4-fluorobenzimidoyl chloride;p-Fluorobenzohydroximoylchloride;α-Chloro-4-fluorobenzaldoxime;
PSA 32.59000
LogP 2.20030

Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy- Specification

The Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy-, with the CAS registry number of 42202-95-9, is also known as α-Chloro-4-fluorobenzaldoxime. It belongs to the product categoriy of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. This chemical's molecular formula is C₇H₅ClFNO and molecular weight is 173.57. What's more, its systematic name is called 4-Fluoro-N-hydroxybenzenecarboximidoyl chloride. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.74; (6)ACD/BCF (pH 7.4): 92.69; (7)ACD/KOC (pH 5.5): 890.78; (8)ACD/KOC (pH 7.4): 890.29; (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: 1.533; (14)Molar Refractivity: 40.63 cm³; (15)Molar Volume: 130.8 cm³; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 116.8 °C; (19)Enthalpy of Vaporization: 53.62 kJ/mol; (20)Boiling Point: 269.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00357 mmHg at 25 °C.

Uses of Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy-: it is used to produce other chemicals. For example, it is used to produce 3-(4-Fluoro-phenyl)-5-phenylselanylmethyl-isoxazole. The reaction needs reagent Triethylamine and solvent CH₂Cl₂. The reaction time is 6 hours with reaction temperature of 20 °C. The yield is about 67 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(C(\Cl)=N\O)cc1
(2) InChI: InChI=1/C7H5ClFNO/c8-7(10-11)5-1-3-6(9)4-2-5/h1-4,11H/b10-7-
(3) InChIKey: VDMJCVUEUHKGOY-YFHOEESVBO

Product Name

ALPHA-CHLORO-4-FLUOROBENZALDOXIME

Benzenecarboximidoylchloride, 4-fluoro-N-hydroxy- Specification

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