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| CAS No.: | 443-33-4 |
|---|---|
| Name: | 2-CHLORO-6-FLUOROBENZALDOXIME |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClFNO |
| Molecular Weight: | 173.574 |
| Synonyms: | 2-Chloro-6-fluorobenzaldehydeoxime; |
| EINECS: | 207-135-6 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 129-133 °C(lit.) |
| Boiling Point: | 238 °C at 760 mmHg |
| Flash Point: | 97.8 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 32.59000 |
| LogP: | 2.28720 |
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Specification
The Benzaldehyde,2-chloro-6-fluoro-, oxime, with the CAS registry number 443-33-4, is also known as ZINC04712495. It belongs to the product categories of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Benzaldehyde; Nitrogen Compounds; Organic Building Blocks; Oximes. Its EINECS registry number is 207-135-6. This chemical's molecular formula is C7H5ClFNO and molecular weight is 173.572103. Its IUPAC name is called (NE)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine.
Physical properties of Benzaldehyde,2-chloro-6-fluoro-, oxime: (1)ACD/LogP: 2.31; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 40.63 cm3; (7)Molar Volume: 130.8 cm3; (8)Surface Tension: 37.7 dyne/cm; (9)Density: 1.32 g/cm3; (10)Flash Point: 97.8 °C; (11)Enthalpy of Vaporization: 50.18 kJ/mol; (12)Boiling Point: 238 °C at 760 mmHg; (13)Vapour Pressure: 0.0237 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloro-6-fluoro-benzaldehyde. This reaction will need reagent hydroxylamine.
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Uses of Benzaldehyde,2-chloro-6-fluoro-, oxime: it can be used to produce 2-chloro-6-fluoro-benzoic acid by heating. This reaction will need reagent poly(diselanediyl-1,2-phenylene), 30 percent H2O2 and solvent tetrahydrofuran with reaction time of 72 hours. The yield is about 100%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. Besides, it is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=NO)F
(2)Isomeric SMILES: C1=CC(=C(C(=C1)Cl)/C=N/O)F
(3)InChI: InChI=1S/C7H5ClFNO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+
(4)InChIKey: OBJHLLOVMKKXDI-ONNFQVAWSA-N