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| CAS No.: | 61072-56-8 |
|---|---|
| Name: | 4-CHLORO-2-FLUOROBENZALDEHYDE |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C7H4ClFO |
| Molecular Weight: | 158.56 |
| Synonyms: | 2-Fluoro-4-chlorobenzaldehyde; |
| EINECS: | -0 |
| Density: | 1.352 g/cm3 |
| Melting Point: | 58-61 °C |
| Boiling Point: | 209.809 °C at 760 mmHg |
| Flash Point: | 80.69 °C |
| Solubility: | Insoluble |
| Appearance: | White, cristalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 37/39-26-36 |
| PSA: | 17.07000 |
| LogP: | 2.29160 |
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Specification
The 4-Chloro-2-fluorobenzaldehyde, with the CAS registry number 61072-56-8, is also known as 2-Fluoro-4-chlorobenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Chlorine Compounds; Fluorine Compounds. This chemical's molecular formula is C7H4ClFO and molecular weight is 158.56. What's more, its systematic name is 4-Chloro-2-fluorobenzaldehyde. This chemical is used for manufacturing pesticide, pharmaceutical, and dye intermediates.
Physical properties of 4-Chloro-2-fluorobenzaldehyde are: (1)ACD/LogP: 1.967; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.40; (6)ACD/BCF (pH 7.4): 18.40; (7)ACD/KOC (pH 5.5): 279.91; (8)ACD/KOC (pH 7.4): 279.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 37.895 cm3; (15)Molar Volume: 117.26 cm3; (16)Polarizability: 15.023×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 80.69 °C; (20)Enthalpy of Vaporization: 44.608 kJ/mol; (21)Boiling Point: 209.809 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-chloro-2-fluorobenzylbromide by heating. This reaction will need reagent HMTA and solvent aq. acetic acid with the reaction time of 4 hours. The yield is about 60%.
Uses of 4-Chloro-2-fluorobenzaldehyde: it can be used to produce 2-amino-7-chloroquinazoline at the temperature of 140 °C. It will need solvent N,N-dimethyl-acetamide with the reaction time of 2 hours. The yield is about 44%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(F)cc(Cl)cc1
(2)Std. InChI: InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
(3)Std. InChIKey: UVGYSEIWAOOIJR-UHFFFAOYSA-N