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| CAS No.: | 3848-36-0 |
|---|---|
| Name: | 4-CHLOROBENZALDEHYDE OXIME |
| Molecular Structure: | |
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| Formula: | C7H6ClNO |
| Molecular Weight: | 155.584 |
| Synonyms: | Benzaldehyde,p-chloro-, oxime (6CI,7CI,8CI);4-Chlorobenzaldoxime;NSC 65231;NSC 68354;p-Chlorobenzaldehyde oxime;p-Chlorobenzaldoxime; |
| Density: | 1.217 g/cm3 |
| Melting Point: | 108-110 °C |
| Boiling Point: | 233.2 °C at 760 mmHg |
| Flash Point: | 94.8 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 32.59000 |
| LogP: | 2.14810 |
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Specification
The Benzaldehyde,4-chloro-, oxime, with CAS registry number 3848-36-0, belongs to the following product category: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. It has the systematic name of 1-(4-chlorophenyl)-N-hydroxymethanimine. And the chemical formula of this chemical is C7H6ClNO.
Physical properties of Benzaldehyde,4-chloro-, oxime: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 21.59 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 40.75 cm3; (9)Molar Volume: 127.8 cm3; (10)Polarizability: 16.15×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 94.8 °C; (14)Enthalpy of Vaporization: 49.66 kJ/mol; (15)Boiling Point: 233.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0314 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-(4-chloro-phenyl)-[1,3]dioxolane. This reaction will need reagents NH2OH.HCl, TsOH and solvent ethanol. The reaction time is 2 hour(s). The yield is about 80%.
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Uses of Benzaldehyde,4-chloro-, oxime: it can be used to produce 4-chloro-N-hydroxy-benzimidoyl chloride. This reaction will need reagent Cl2.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C=NO)cc1
(2)InChI: InChI=1/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H
(3)InChIKey: QKWBTCRVPQHOMT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H6ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H
(5)Std. InChIKey: QKWBTCRVPQHOMT-UHFFFAOYSA-N