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CAS No.: | 137736-06-2 |
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Name: | 4-(4'-FLUOROPHENOXY)BENZALDEHYDE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C13H9FO2 |
Molecular Weight: | 216.212 |
Synonyms: | 4-(4-Fluorophenoxy)benzaldehyde; |
Density: | 1.229g/cm3 |
Melting Point: | 77 °C |
Boiling Point: | 317.6 °C at 760 mmHg |
Flash Point: | 141.1 °C |
Appearance: | Light yellow powder |
Hazard Symbols: | Xn; N |
Risk Codes: | 22-41-51/53 |
Safety: | 26-36/39-60-61 |
PSA: | 26.30000 |
LogP: | 3.43050 |
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The Benzaldehyde,4-(4-fluorophenoxy)-, with CAS registry number 137736-06-2, belongs to the following product categories: (1)Aldehydes; (2)C10 to C21; (3)Carbonyl Compounds. It has the systematic name of 4-(4-fluorophenoxy)benzaldehyde. And the chemical formula of this chemical is C13H9FO2.
Physical properties of Benzaldehyde,4-(4-fluorophenoxy)-: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 59.44 cm3; (9)Molar Volume: 175.8 cm3; (10)Polarizability: 23.56×10-24cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.229 g/cm3; (13)Flash Point: 141.1 °C; (14)Enthalpy of Vaporization: 55.9 kJ/mol; (15)Boiling Point: 317.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000381 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzaldehyde,4-(4-fluorophenoxy)- is harmful if swallowed. And it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(Oc1ccc(F)cc1)cc2
(2)InChI: InChI=1/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
(3)InChIKey: YUPBWHURNLRZQL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
(5)Std. InChIKey: YUPBWHURNLRZQL-UHFFFAOYSA-N