Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzaldehyde,2-fluoro-5-(trifluoromethoxy)- |
EINECS | N/A |
CAS No. | 886497-81-0 | Density | 1.428 g/cm3 |
PSA | 26.30000 | LogP | 2.53680 |
Solubility | Slightly miscible with water. | Melting Point |
N/A |
Formula | C8H4F4O2 | Boiling Point | 200.4 °C at 760 mmHg |
Molecular Weight | 208.112 | Flash Point | 73.2 °C |
Transport Information | N/A | Appearance | colorless or pale yellow liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Fluoro-5-trifluoromethoxybenzaldehyde; |
Article Data | 1 |
This chemical is called Benzaldehyde, 2-fluoro-5-(trifluoromethoxy)-, and it can also be named as 2-Fluoro-5-(trifluoromethoxy)benzaldehyde. With the molecular formula of C8H4F4O2, its molecular weight is 208.11. The CAS registry number of this chemical is 886497-81-0. This chemical is colorless or pale yellow liquid. It should be stored sealed in the cool and dry plcace.
Other characteristics of the Benzaldehyde, 2-fluoro-5-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.57; (6)ACD/BCF (pH 7.4): 94.57; (7)ACD/KOC (pH 5.5): 903.33; (8)ACD/KOC (pH 7.4): 903.33; (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: 1.463; (14)Molar Refractivity: 40.13 cm3; (15)Molar Volume: 145.7 cm3; (16)Polarizability: 15.91×10-24cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 73.2 °C; (20)Enthalpy of Vaporization: 43.66 kJ/mol; (21)Boiling Point: 200.4 °C at 760 mmHg; (22)Vapour Pressure: 0.326 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)Oc1cc(c(F)cc1)C=O
2.InChI: InChI=1/C8H4F4O2/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-4H
3.InChIKey: FMDGCHMPSCBYFX-UHFFFAOYAI