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| CAS No.: | 256417-10-4 |
|---|---|
| Name: | 2,6-DIFLUORO-4-METHOXYBENZALDEHYDE |
| Molecular Structure: | |
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| Formula: | C8H6F2O2 |
| Molecular Weight: | 172.131 |
| Synonyms: | 2,6-Difluoro-p-anisaldehyde; |
| Density: | 1.289 g/cm3 |
| Melting Point: | 73-77 °C(lit.) |
| Boiling Point: | 207.15 °C at 760 mmHg |
| Flash Point: | 77.131 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 1.78590 |
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Specification
This chemical is called Benzaldehyde, 2,6-difluoro-4-methoxy-. With the molecular formula of C8H6F2O2, its molecular weight is 172.13. The CAS registry number of this chemical is 256417-10-4. Additionally, its product categories are Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C8; Carbonyl Compounds. This chemical should be sealed in the cool and dry plcace, away from oxides.
Other characteristics of the Benzaldehyde, 2,6-difluoro-4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.506; (8)Molar Refractivity: 39.67 cm3; (9)Molar Volume: 133.5 cm3; (10)Polarizability: 15.72×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 1.289 g/cm3; (13)Flash Point: 77.1 °C; (14)Enthalpy of Vaporization: 44.34 kJ/mol; (15)Boiling Point: 207.1 °C at 760 mmHg; (16)Vapour Pressure: 0.229 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to skin. It has risk of serious damage to the eyes. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(c(F)cc(OC)c1)C=O
2.InChI: InChI=1/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
3.InChIKey: ZYABCGOTMDPUDD-UHFFFAOYAM