Benzenecarboximidoylchloride, N-hydroxy-4-nitro- supplier

Name
ALPHA-CHLORO-4-NITROBENZALDOXIME
EINECS
CAS No. 1011-84-3
Article Data95
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point 66-67 °C
Formula C₇H₅ClN₂O₃
Boiling Point 376.6 °C at 760 mmHg
Molecular Weight 200.581
Flash Point 181.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzohydroximoylchloride, p-nitro- (8CI);4-Nitrobenzohydroxamic acid chloride;4-Nitrobenzohydroxamoyl chloride;4-Nitrobenzohydroximoyl chloride;N-Hydroxy-4-nitrobenzenecarboximidoyl chloride;p-Nitrobenzohydroxamoylchloride;p-Nitrobenzohydroximoyl chloride;p-Nitrophenylhydroxamic acidchloride;a-Chloro-4-nitrobenzaldoxime;a-Chloro-p-nitrobenzaldoxime;Benzoyl chloride, p-nitro-, oxime (7CI);4-Nitrobenzenehydroximic acid chloride;
PSA 78.41000
LogP 2.49260

Benzenecarboximidoylchloride, N-hydroxy-4-nitro- Specification

The Benzenecarboximidoylchloride, N-hydroxy-4-nitro-, with the CAS registry number 1011-84-3, is also known as 4-Nitrobenzoyl chloride oxime. This chemical's molecular formula is C₇H₅ClN₂O₃ and molecular weight is 200.58. Its systematic name is called N-hydroxy-4-nitrobenzenecarboximidoyl chloride.

Physical properties of Benzenecarboximidoylchloride, N-hydroxy-4-nitro-: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.87; (5)ACD/BCF (pH 7.4): 58.73; (6)ACD/KOC (pH 5.5): 643.42; (7)ACD/KOC (pH 7.4): 641.95; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 46.41 cm³; (13)Molar Volume: 133.3 cm3; (14)Surface Tension: 58.8 dyne/cm; (15)Density: 1.5 g/cm³; (16)Flash Point: 181.5 °C; (17)Enthalpy of Vaporization: 65.85 kJ/mol; (18)Boiling Point: 376.6 °C at 760 mmHg; (19)Vapour Pressure: 2.43E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitro-benzaldehyde oxime. This reaction is a kind of Chlorination. It will need reagent benzyltrimethylammonium tetrachloroiodate and solvent CH₂Cl₂. The reaction time is 5 hours with reaction temperature of 20 °C. The yield is about 90%.

Uses of Benzenecarboximidoylchloride, N-hydroxy-4-nitro-: it can be used to produce N-hydroxy-4-nitro-N'-phenyl-benzamidine. This reaction will need reagent diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(\Cl)=N\O)cc1
(2)InChI: InChI=1/C7H5ClN2O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H/b9-7-
(3)InChIKey: PIQHICJFBSZFMS-CLFYSBASBM

Product Name

ALPHA-CHLORO-4-NITROBENZALDOXIME

Benzenecarboximidoylchloride, N-hydroxy-4-nitro- Specification

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