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N-Phenylbenzohydroxamic acid

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Name

N-Phenylbenzohydroxamic acid

EINECS 206-158-9
CAS No. 304-88-1 Density 1.27 g/cm3
PSA 40.54000 LogP 2.72260
Solubility Practically insoluble in water Melting Point 118-120 °C(lit.)
Formula C13H11NO2 Boiling Point 369.2 °C at 760 mmHg
Molecular Weight 213.236 Flash Point 177.1 °C
Transport Information N/A Appearance off-white fibrous powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 304-88-1 (N-Phenylbenzohydroxamic acid) Hazard Symbols N/A
Synonyms

BPHA;N-Benzoyl-N-phenylhydroxamic acid;N-Benzoyl-N-phenylhydroxylamine;N-Hydroxy-N-phenylbenzamide;N-Hydroxybenzanilide;NSC 42454;

Article Data 37

N-Phenylbenzohydroxamic acid Specification

The N-Phenylbenzohydroxamic acid, with CAS registry number 304-88-1, belongs to the following product categories: (1)Analytical Chemistry; (2)Bipyridyls, etc. (Chelating Reagents); (3)Chelating Reagents; (4)Hydroxylamines; (5)Hydroxylamines (N-Substituted). Its systematic name and its IUPAC name are the same, which is N-hydroxy-N-phenylbenzamide. This chemical is a kind of off-white fibrous powder. It should be stored at the temperature of 2-8°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.

Physical properties of N-Phenylbenzohydroxamic acid: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 56.44; (6)ACD/BCF (pH 7.4): 47.03; (7)ACD/KOC (pH 5.5): 623.84; (8)ACD/KOC (pH 7.4): 519.89; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 62.43 cm3; (15)Molar Volume: 167.8 cm3; (16)Polarizability: 24.75×10-24cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Enthalpy of Vaporization: 64.99 kJ/mol; (19)Vapour Pressure: 4.19E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by N-methoxy-benzanilide. This reaction will need reagents AlCl3, Me2S. The reaction time is 0.25 hour(s). The yield is about 91%.

Uses of N-Phenylbenzohydroxamic acid: it can be used to produce 1-benzoyl-piperidine. This reaction will need reagent 0.1 M NaClO4 and solvent acetonitrile . The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H
(3)InChIKey: YLYIXDZITBMCIW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H
(5)Std. InChIKey: YLYIXDZITBMCIW-UHFFFAOYSA-N
 

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