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Name |
Benzenecarboximidamide,4-chloro-N-hydroxy- |
EINECS | N/A |
CAS No. | 5033-28-3 | Density | 1.368 g/cm3 |
PSA | 58.61000 | LogP | 2.13480 |
Solubility | N/A | Melting Point |
131 °C |
Formula | C7H7ClN2O | Boiling Point | 334.619 °C at 760 mmHg |
Molecular Weight | 170.598 | Flash Point | 156.172 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R36/37/38 | |
Molecular Structure | Hazard Symbols | Xi | |
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; |
Article Data | 122 |
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