Benzenecarboximidoylchloride, N-hydroxy-3-nitro- supplier

Name
ALPHA-CHLORO-3-NITROBENZALDOXIME
EINECS
CAS No. 33512-94-6
Article Data49
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point 93-95 °C
Formula C₇H₅ClN₂O₃
Boiling Point 367.2 °C at 760 mmHg
Molecular Weight 200.581
Flash Point 175.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzohydroximoylchloride, m-nitro- (8CI);Benzoyl chloride, m-nitro-, oxime (6CI,7CI);3-Nitrobenzenehydroximic acid chloride;3-Nitrobenzhydroximoyl chloride;3-Nitrobenzohydroxamoyl chloride;3-Nitrobenzohydroximoyl chloride;N-Hydroxy-3-nitrobenzenecarboximidoyl chloride;m-Nitrobenzhydroximoylchloride;m-Nitrobenzoyl chloride oxime;m-Nitrophenylhydroxamic acid chloride;m-Nitrobenzohydroxamoyl chloride;m-Nitrobenzohydroximoyl chloride;
PSA 78.41000
LogP 2.49260

Benzenecarboximidoylchloride, N-hydroxy-3-nitro- Specification

The Benzenecarboximidoylchloride, N-hydroxy-3-nitro-, with the CAS registry number 33512-94-6, is also known as 3-Nitrobenzhydroximoyl chloride. This chemical's molecular formula is C₇H₅ClN₂O₃ and molecular weight is 200.58. What's more, its systematic name is N-hydroxy-3-nitrobenzenecarboximidoyl chloride.

Physical properties of Benzenecarboximidoylchloride, N-hydroxy-3-nitro- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/BCF (pH 5.5): 53.94; (5)ACD/BCF (pH 7.4): 53.81; (6)ACD/KOC (pH 5.5): 604.36; (7)ACD/KOC (pH 7.4): 602.97; (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: 175.9 °C; (18)Enthalpy of Vaporization: 64.75 kJ/mol; (19)Boiling Point: 367.2 °C at 760 mmHg; (20)Vapour Pressure: 4.87E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-nitro-benzaldehyde oxime at the temperature of -12 °C. This reaction will need reagent tert-butyl hypochlorite and solvents CH₂Cl₂, propan-2-ol with the reaction time of 15 min. The yield is about 91%.

Uses of Benzenecarboximidoylchloride, N-hydroxy-3-nitro-: it can be used to produce O-acetyl-m-nitrobenzhydroxamoyl chloride by heating. The reaction time is 1 hour. The yield is about 30%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(C(\Cl)=N\O)ccc1
(2)InChI: InChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H/b9-7-
(3)InChIKey: LSAGTJSJWCRWAZ-CLFYSBASSA-N

Product Name

ALPHA-CHLORO-3-NITROBENZALDOXIME

Benzenecarboximidoylchloride, N-hydroxy-3-nitro- Specification

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