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35447-75-7

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Basic Information
CAS No.: 35447-75-7
Name: ALPHA-CHLORO-2-NITROBENZALDOXIME
Article Data: 22
Molecular Structure:
Molecular Structure of 35447-75-7 (ALPHA-CHLORO-2-NITROBENZALDOXIME)
Formula: C7H5ClN2O3
Molecular Weight: 200.581
Synonyms: Benzoylchloride, o-nitro-, oxime (6CI);2-Nitrobenzohydroximoyl chloride;Benzenecarboximidoylchloride, N-hydroxy-2-nitro-;N-Hydroxy-2-nitrobenzenecarboximidoyl chloride;α-Chloro-2-nitrobenzaldoxime;
Density: 1.5 g/cm3
Boiling Point: 377.6 °C at 760 mmHg
Flash Point: 182.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
PSA: 78.41000
LogP: 2.49260
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Specification

The o-Nitrobenzohydroximoyl chloride, with the CAS registry number 35447-75-7, is also known as α-Chloro-2-nitrobenzaldoxime. This chemical's molecular formula is C7H5ClN2O3 and molecular weight is 200.58. What's more, its systematic name is N-hydroxy-2-nitrobenzenecarboximidoyl chloride. It should be sealed and stored at the temperature of 2 - 10 °C. It is irritating to eyes, respiratory system and skin. 

Physical properties of o-Nitrobenzohydroximoyl chloride are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/BCF (pH 5.5): 26.14; (5)ACD/BCF (pH 7.4): 26.04; (6)ACD/KOC (pH 5.5): 359.81; (7)ACD/KOC (pH 7.4): 358.47; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 67.41 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 46.41 cm3; (14)Molar Volume: 133.3 cm3; (15)Surface Tension: 58.8 dyne/cm; (16)Density: 1.5 g/cm3; (17)Flash Point: 182.1 °C; (18)Enthalpy of Vaporization: 65.97 kJ/mol; (19)Boiling Point: 377.6 °C at 760 mmHg; (20)Vapour Pressure: 2.26E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-benzaldehyde oxime. This reaction will need reagent N-chlorosuccinimide and solvent dimethylformamide. The yield is about 77%.

Uses of o-Nitrobenzohydroximoyl chloride: it can be used to produce 3-(2-nitro-phenyl)-5-phenyl-isoxazole at the ambient temperature. It will need reagent triethylamine and solvent diethyl ether with the reaction time of 2 days. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(/Cl)=N\O
(2)InChI: InChI=1S/C7H5ClN2O3/c8-7(9-11)5-3-1-2-4-6(5)10(12)13/h1-4,11H/b9-7+
(3)InChIKey: SQHJGNRLAWHRNE-VQHVLOKHSA-N