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CAS No.: | 10468-17-4 |
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Name: | N-(3-CHLORO-PHENYL)HYDROXYLAMINE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C6H6ClNO |
Molecular Weight: | 143.573 |
Synonyms: | 3-Chloro-N-hydroxyaniline; |
Density: | 1.41 g/cm3 |
Melting Point: | 49 °C(Solv: benzene (71-43-2)) |
Boiling Point: | 249.252 °C at 760 mmHg |
Flash Point: | 104.544 °C |
PSA: | 32.26000 |
LogP: | 2.21410 |
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The 3-Chlorophenylhydroxylamine, its cas register number is 10468-17-4. It also can be called as 3-Chloro-N-hydroxyaniline and the Systematic name about this chemical is 3-chloro-N-hydroxyaniline.
Physical properties about 3-Chlorophenylhydroxylamine are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 14; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 232; (7)ACD/KOC (pH 7.4): 214; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 32.26Å2; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 37.659 cm3; (14)Molar Volume: 101.84 cm3; (15)Polarizability: 14.929x10-24cm3; (16)Surface Tension: 56.315 dyne/cm; (17)Enthalpy of Vaporization: 51.403 kJ/mol; (18)Vapour Pressure: 0.012 mmHg at 25°C
Preparation: this chemical can be prepared by 1-chloro-3-nitro-benzene at Ambient temperature. This reaction will need reagent KBH4, BiCl3 and aq. ethanol. The reaction time is 15 min. The yield is about 83 %.
Uses of 3-Chlorophenylhydroxylamine: it can be used to produce bis-(3-chloro-phenyl)-diazene-N-oxide at Ambient temperature. It will need reagent NaOH, O2 with reaction time of 4 hours. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: ONc1cc(Cl)ccc1
(2)InChI: InChI=1/C6H6ClNO/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H
(3)InChIKey: CTTWLAMAVFBFAR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H6ClNO/c7-5-2-1-3-6(4-5)8-9/h1-4,8-9H
(5)Std. InChIKey: CTTWLAMAVFBFAR-UHFFFAOYSA-N