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| CAS No.: | 145742-34-3 |
|---|---|
| Name: | 4,5-DIFLUORO-2-METHOXYBENZALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H6F2O2 |
| Molecular Weight: | 172.131 |
| Synonyms: | 4,5-DIFLUORO-2-METHOXYBENZALDEHYDE |
| Density: | 1.289 g/cm3 |
| Melting Point: | 93-97°C |
| Boiling Point: | 239.2 °C at 760 mmHg |
| Flash Point: | 95.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 26.30000 |
| LogP: | 1.78590 |
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Specification
This chemical is called Benzaldehyde, 4,5-difluoro-2-methoxy-, and its CAS registry number is 145742-34-3. With the molecular formula of C8H6F2O2, its product categories are Aromatic Aldehydes & Derivatives (substituted). In addition, this chemical should be sealed in the cool and dry place, away from oxides and air.
Other characteristics of the Benzaldehyde, 4,5-difluoro-2-methoxy- can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.58; (6)ACD/BCF (pH 7.4): 15.58; (7)ACD/KOC (pH 5.5): 248.44; (8)ACD/KOC (pH 7.4): 248.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 39.67 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 15.72×10-24cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 47.61 kJ/mol; (21)Boiling Point: 239.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0405 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(F)c(F)cc1C=O
2.InChI: InChI=1/C8H6F2O2/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-4H,1H3|
3.InChIKey: ZCLXUHQRYFUSLE-UHFFFAOYAU