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| CAS No.: | 502762-92-7 |
|---|---|
| Name: | Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI) |
| Molecular Structure: | |
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| Formula: | C7H4F2O2 |
| Molecular Weight: | 158.104 |
| Synonyms: | Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI);3,6-Difluorosalicylaldehyde, 98+%;3,6-Difluoro-2-formylphenol, 3,6-Difluorosalicylaldehyde;3,6-Difluorosalicylaldehyde;3,6-Dfluoro-2-hydroxybenzaldehyde |
| EINECS: | 642-786-3 |
| Density: | 1.465 g/cm3 |
| Boiling Point: | 182.92 °C at 760 mmHg |
| Flash Point: | 64.428 °C |
| Hazard Symbols: |
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- Total:34 Page 1 of 1 1
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Specification
The CAS register number of Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI) is 502762-92-7. The systematic name about this chemical is 3,6-difluoro-2-hydroxybenzaldehyde. The molecular formula about this chemical is C7H4F2O2 and the molecular weight is 158.1022664. It belongs to the following product categories which include Alcohol; Aldehyde; Halide and so on. This chemical that may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI) are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 44; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 474; (7)ACD/KOC (pH 7.4): 21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 34.875 cm3; (14)Molar Volume: 107.949 cm3; (15)Polarizability: 13.826x10-24cm3; (16)Surface Tension: 46.305 dyne/cm; (17)Density: 1.465 g/cm3; (18)Flash Point: 64.428 °C; (19)Enthalpy of Vaporization: 43.635 kJ/mol; (20)Boiling Point: 182.92 °C at 760 mmHg; (21)Vapour Pressure: 0.58 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(F)c(O)c1C=O
(2)InChI: InChI=1/C7H4F2O2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-3,11H
(3)InChIKey: PWGMIHBQTCIAKM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4F2O2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-3,11H
(5)Std. InChIKey: PWGMIHBQTCIAKM-UHFFFAOYSA-N