CAS No.330-84-7,4-FLUORODIPHENYL ETHER Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	330-84-7
Name:	4-FLUORODIPHENYL ETHER
Article Data:	54

Formula:	C₁₂H₉FO
Molecular Weight:	188.201
Synonyms:	Ether,p-fluorophenyl phenyl (6CI,7CI,8CI);4-Fluorodiphenyl ether;4-Fluorophenylphenyl ether;NSC 51798;p-Fluorophenyl phenyl ether;
EINECS:	206-357-0
Density:	1.145 g/cm³
Boiling Point:	249.8 °C at 760 mmHg
Flash Point:	93.1 °C
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	9.23000
LogP:	3.61800

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Specification

The Benzene,1-fluoro-4-phenoxy-, with the CAS registry number 330-84-7, is also known as 4-Fluorophenyl phenyl ether. It belongs to the product category of Biphenyl & Diphenyl Ether. Its EINECS registry number is 206-357-0. This chemical's molecular formula is C₁₂H₉FO and molecular weight is 188.2. What's more, both its IUPAC name and systematic name are the same which is called 1-Fluoro-4-phenoxybenzene. It's colorless to light yellow liquid.

Physical properties about Benzene,1-fluoro-4-phenoxy- are: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1542.63; (6)ACD/BCF (pH 7.4): 1542.63; (7)ACD/KOC (pH 5.5): 6664.32; (8)ACD/KOC (pH 7.4): 6664.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 52.69 cm³; (15)Molar Volume: 164.2 cm³; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 1.145 g/cm³; (18)Flash Point: 93.1 °C; (19)Enthalpy of Vaporization: 46.73 kJ/mol; (20)Boiling Point: 249.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0356 mmHg at 25 °C.

Preparation of Benzene,1-fluoro-4-phenoxy-: this chemical can be prepared by Bromobenzene with 4-Fluoro-phenol. This reaction needs reagents Copper powder, Potassium tert-butoxide. The yield is 58 %.

Benzene,1-fluoro-4-phenoxy- can be prepared by Bromobenzene with 4-Fluoro-phenol.

Uses of Benzene,1-fluoro-4-phenoxy-: it is used to produce other chemicals. For example, it is used to produce 3-[4-(4-Fluorophenoxy)benzoyl]acrylic acid. The reaction occurs with reagent AlCl₃ and solvent CH₂Cl₂ at ambient temperature for 4 hours. The yield is 74.7 %.

Benzene,1-fluoro-4-phenoxy- is used to produce 3-[4-(4-Fluorophenoxy)benzoyl]acrylic acid.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(Oc1ccccc1)cc2
(2) InChI: InChI=1/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3) InChIKey: AODSTUBSNYVSSL-UHFFFAOYAT