Name: 4-CHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE
SKU: 5033-28-3

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Basic Information

Molecular Structure:
CAS No.:	5033-28-3
Name:	4-CHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE
Article Data:	122

Formula:	C₇H₇ClN₂O
Molecular Weight:	170.598
Synonyms:	Benzamidoxime,p-chloro- (6CI,7CI,8CI);(4-Chlorophenyl)amidoxime;4-Chloro-N-hydroxybenzamidine;4-Chloro-N-hydroxybenzenecarboximidamide;4-Chloro-N'-hydroxybenzamidine;4-Chloro-N'-hydroxybenzimidamide;4-Chlorobenzamide oxime;4-Chlorobenzamidoxime;4-Chlorobenzoic acid amidoxime;NSC 13329;p-Chlorobenzamidoxime;4-chloro-N'-hydroxybenzenecarboximidamide;Benzenecarboximidamide, 4-chloro-N'-hydroxy-;4-Chlorobenzamide oxime;
Density:	1.368 g/cm³
Melting Point:	131 °C
Boiling Point:	334.619 °C at 760 mmHg
Flash Point:	156.172 °C
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	58.61000
LogP:	2.13480

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Specification

The Benzenecarboximidamide,4-chloro-N-hydroxy-, with the CAS registry number 5033-28-3, has the systematic name and IUPAC name of 4-chloro-N'-hydroxybenzenecarboximidamide. It belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Pharmacetical. And the molecular formula of the chemical is C₇H₇ClN₂O.

The characteristics of Benzenecarboximidamide,4-chloro-N-hydroxy- are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.778; (4)ACD/LogD (pH 7.4): 1.792; (5)ACD/BCF (pH 5.5): 13.11; (6)ACD/BCF (pH 7.4): 13.54; (7)ACD/KOC (pH 5.5): 217.552; (8)ACD/KOC (pH 7.4): 224.68; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.61 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.674 cm³; (15)Molar Volume: 124.692 cm³; (16)Polarizability: 16.917×10^-24cm³; (17)Surface Tension: 49.806 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 156.172 °C; (20)Enthalpy of Vaporization: 60.966 kJ/mol; (21)Boiling Point: 334.619 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzenecarboximidamide,4-chloro-N-hydroxy-: This chemical can be prepared by 4-chloro-benzonitrile. The reaction will need reagent NH₂OH^.HCl and Na₂CO₃, and the menstruum methanol. The reaction is also need heating, and the yield is about 85%.

Uses of Benzenecarboximidamide,4-chloro-N-hydroxy-: It can react with benzoyl chloride to produce O-Benzoyl-4-chlorbenzamidoxim. This reaction will need the menstruum diethyl ether and pyridine. The reaction time is 2 hours, and the yield is about 92%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1/C(=N/O)/N)Cl
(2)InChI: InChI=1/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
(3)InChIKey: QBGONPQFBDUVPG-UHFFFAOYAX