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CAS No.: | 532967-21-8 |
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Name: | 2,6-DIFLUORO-4-HYDROXYBENZALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4F2O2 |
Molecular Weight: | 158.104 |
Synonyms: | 2,6-Difluoro-4-hydroxybenzaldehyde;2,6-Difluor-4-hydroxybenzaldehyd; |
Density: | 1.464 g/cm3 |
Melting Point: | 179-182℃ |
Boiling Point: | 252.6 °C at 760 mmHg |
Flash Point: | 106.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20-36/37/38 |
Safety: | 22-36/37/39-45 |
PSA: | 37.30000 |
LogP: | 1.48290 |
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The 2,6-Difluoro-4-hydroxybenzaldehyde with the CAS number 532967-21-8 is also called Benzaldehyde,2,6-difluoro-4-hydroxy-. Its molecular formula is C7H4F2O2. This chemical belongs to the following product categories: (1)Aldehyde; (2)Alcohol; (3)Halide; (4)Aromatic Aldehydes & Derivatives (substituted). It is irritant. While using this chemical, you should be very cautious.
The properties of the 2,6-Difluoro-4-hydroxybenzaldehyde are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 0.92 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 34.87 cm3; (11)Molar Volume: 107.9 cm3; (12)Polarizability: 13.82×10-24cm3; (13)Surface Tension: 46.3 dyne/cm; (14)Enthalpy of Vaporization: 50.97 kJ/mol; (15)Vapour Pressure: 0.0121 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(O)cc(F)c1C=O
(2)InChI: InChI=1/C7H4F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-3,11H
(3)InChIKey: ROAQMGJHSNIROA-UHFFFAOYAG