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CAS No.: | 192863-46-0 |
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Name: | 2-(4-FLUOROPHENYL)BENZALDEHYDE |
Molecular Structure: | |
Formula: | C13H9FO |
Molecular Weight: | 200.212 |
Synonyms: | 2-(4-Fluorophenyl)benzaldehyde;4'-Fluoro-1,1'-biphenyl-2-carboxaldehyde;4'-Fluorobiphenyl-2-carbaldehyde;4'-Fluoro-[1,1'-biphenyl]-2-carboxaldehyde; |
Density: | 1.173 g/cm3 |
Melting Point: | 133-137?°C(lit.) |
Boiling Point: | 329.7 °C at 760 mmHg |
Flash Point: | 222.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-39 |
PSA: | 17.07000 |
LogP: | 3.30520 |
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This chemical is called [1,1'-Biphenyl]-2-carboxaldehyde,4'-fluoro-, and it can also be named as 2-(4-Fluorophenyl)Benzaldehyde. With the molecular formula of C13H9FO, its molecular weight is 200.21. The CAS registry number of this chemical is 192863-46-0, and its systematic name is 4'-Fluorobiphenyl-2-carbaldehyde. Additionally, this chemical should be sealed in the ventilated, cool and dry place.
Other characteristics of the [1,1'-Biphenyl]-2-carboxaldehyde,4'-fluoro- can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.81; (6)ACD/BCF (pH 7.4): 118.81; (7)ACD/KOC (pH 5.5): 1063.61; (8)ACD/KOC (pH 7.4): 1063.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 57.59 cm3; (15)Molar Volume: 170.5 cm3; (16)Polarizability: 22.83×10-24 cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 222.3 °C; (20)Enthalpy of Vaporization: 57.22 kJ/mol; (21)Boiling Point: 329.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000174 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc2ccc(c1c(C=O)cccc1)cc2
2.InChI: InChI=1/C13H9FO/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-9H
3.InChIKey: QENDTDXVOJYDLG-UHFFFAOYAO