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CAS No.: | 676500-39-3 |
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Name: | 2,3-Difluoro-4-hydroxybenzaldehyde |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4F2O2 |
Molecular Weight: | 158.104 |
Synonyms: | 2,3-Difluoro-4-hydroxybenzaldehyde; |
Density: | 1.464 g/cm3 |
Melting Point: | 140-144℃ |
Boiling Point: | 235.4 °C at 760 mmHg |
Flash Point: | 96.2 °C |
Hazard Symbols: | Xi |
PSA: | 37.30000 |
LogP: | 1.48290 |
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The Benzaldehyde,2,3-difluoro-4-hydroxy- has the CAS registry number 676500-39-3. It belongs to the product categories of Aldehyde; Halide; Alcohol. This chemical's molecular formula is C7H4F2O2 and formula weight is 158.10. What's more, its systematic name is 2,3-difluoro-4-hydroxybenzaldehyde.
Physical properties of Benzaldehyde,2,3-difluoro-4-hydroxy- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 16.45; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 214.83; (8)ACD/KOC (pH 7.4): 5.87; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 34.87 cm3; (15)Molar Volume: 107.9 cm3; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.464 g/cm3; (18)Flash Point: 96.2 °C; (19)Enthalpy of Vaporization: 49.13 kJ/mol; (20)Boiling Point: 235.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0328 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(O)c1F)C=O
(2)InChI: InChI=1S/C7H4F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H
(3)InChIKey: KTGPDDPEVRJSFY-UHFFFAOYSA-N