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| CAS No.: | 823-86-9 |
|---|---|
| Name: | 4-chlorophenylhydroxylamine |
| Molecular Structure: | |
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| Formula: | C6H6ClNO |
| Molecular Weight: | 143.573 |
| Synonyms: | Hydroxylamine,N-(p-chlorophenyl)- (6CI,7CI,8CI);4-Chloro-N-hydroxybenzenamine;4-Chlorophenylhydroxamic acid;4-Chlorophenylhydroxylamine;N-(4-Chlorophenyl)hydroxylamine;N-(p-Chlorophenyl)hydroxylamine;N-Hydroxy-4-chloroaniline;N-Hydroxy-4-chlorobenzenamine;NSC 166794;NSC528511;p-Chlorophenylhydroxylamine; |
| Density: | 1.409g/cm3 |
| Melting Point: | 86 °C |
| Boiling Point: | 251.7 °C at 760 mmHg |
| Flash Point: | 106 °C |
| PSA: | 32.26000 |
| LogP: | 2.21410 |
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Specification
The 4-Chlorophenylhydroxylamine, with cas registry number 823-86-9, has the systematic name of 4-chloro-N-hydroxyaniline. And its IUPAC name is N-(4-chlorophenyl)hydroxylamine. Besides this, it is also called Hydroxylamine, N- (p-chlorophenyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 13.24; (6)ACD/BCF (pH 7.4): 11.78; (7)ACD/KOC (pH 5.5): 220.97; (8)ACD/KOC (pH 7.4): 196.6; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 37.65 cm3; (15)Molar Volume: 101.8 cm3; (16)Polarizability: 14.92×10-24cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Enthalpy of Vaporization: 51.67 kJ/mol; (19)Vapour Pressure: 0.0106 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-chloro-4-nitro-benzene. This reaction will need reagent NH2NH2 and solvent tetrahydrofuran, ethanol. The reaction time is 1 hour. The yield is about 40%.
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Uses of 4-Chlorophenylhydroxylamine: it can be used to produce 1-chloro-4-nitroso-benzene. This reaction will need reagent potassium dichromate-sulfuric acid.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NO)cc1
(2)InChI: InChI=1/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H
(3)InChIKey: VVQDMDRAUXFEND-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H
(5)Std. InChIKey: VVQDMDRAUXFEND-UHFFFAOYSA-N