CAS No.458-92-4,(DIFLUOROMETHOXY)BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	458-92-4
Name:	(DIFLUOROMETHOXY)BENZENE
Article Data:	34

Formula:	C₇H₆F₂O
Molecular Weight:	144.121
Synonyms:	(Difluoromethoxy)benzene;Anisole, α,α-difluoro- (6CI,7CI,8CI);Difluoromethyl phenyl ether;Phenyl difluoromethyl ether;α,α-Difluoroanisole;
EINECS:	207-283-1
Density:	1.156 g/cm³
Boiling Point:	138.026 °C at 760 mmHg
Flash Point:	43.106 °C
Hazard Symbols:	F
Risk Codes:	10
Safety:	16-24/25-23
Transport Information:	UN 1993
PSA:	9.23000
LogP:	2.28800

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Specification

The Benzene, (difluoromethoxy)-, with the CAS registry number of 458-92-4, is also known as α, α-Difluoroanisole. Its EINECS registry number is 207-283-1. This chemical's molecular formula is C₇H₆F₂O and molecular weight is 144.12. What's more, its IUPAC name is Difluoromethoxybenzene.

Physical properties about Benzene, (difluoromethoxy)- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.833; (6)ACD/BCF (pH 7.4): 42.833; (7)ACD/KOC (pH 5.5): 512.438; (8)ACD/KOC (pH 7.4): 512.438; (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: 1.445; (14)Molar Refractivity: 33.217 cm³; (15)Molar Volume: 124.708 cm³; (16)Surface Tension: 25.538 dyne/cm; (17)Density: 1.156 g/cm³; (18)Flash Point: 43.106 °C; (19)Enthalpy of Vaporization: 35.985 kJ/mol; (20)Boiling Point: 138.026 °C at 760 mmHg; (21)Vapour Pressure: 8.519 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Trifluoroacetic acid with Phenol. The reaction needs reagent NaOH. Meanwhile, it needs solvents Bis-(2-methoxy-ethyl) ether and H₂O. The reaction time is 10 hours with reaction temperature of 160 °C. The yield is about 53 %.

Uses: it is used to produce other chemicals. For example, it is used to produce (Chloro-difluoro-methyl)-phenyl ether. The reaction needs reagent Cl₂. The reaction time is 4.5 hours with reaction temperature of 100 °C. Other condition of this reaction is irradiation. The yield is about 95 %.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)OC(F)F
(2) InChI: InChI=1/C7H6F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
(3) InChIKey: LMVBQQAXGZVBFH-UHFFFAOYAE