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93343-10-3

Basic Information
CAS No.: 93343-10-3
Name: Benzene,1,3-difluoro-5-methoxy-
Molecular Structure:
Molecular Structure of 93343-10-3 (Benzene,1,3-difluoro-5-methoxy-)
Formula: C7H6F2O
Molecular Weight: 144.12
Synonyms: 3,5-Difluoro-1-methoxybenzene;1,3-Difluoro-5-methoxybenzene;
EINECS:
Density: 1.182 g/cm3
Melting Point:
Boiling Point: 116.6 °C at 760 mmHg
Flash Point: 43.9 °C
Solubility:
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi,FlammableF
Risk Codes: 10-36/37/38
Safety: 16-26-36/37/39-7/9
Transport Information: UN 1993 3/PG 3
PSA: 9.23000
LogP: 1.97340
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  • 3,5-Difluoroanisole

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  • 1,3-Difluoro-5-Methoxybenzene

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    93343-10-3

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  • Benzene,1,3-difluoro-5-methoxy-

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    93343-10-3

    Benzene,1,3-difluoro-5-methoxy-

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  • 3,5-Difluoroanisole

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    93343-10-3

    3,5-Difluoroanisole

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Specification

The Benzene,1,3-difluoro-5-methoxy-, with the CAS registry number 93343-10-3, is also known as 3,5-Difluoro-1-methoxybenzene. It belongs to the product categories of Other fluorin-contained compounds; Aromatic Ethers; Anisole; Miscellaneous; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C7H6F2O and molecular weight is 144.12. What's more, its systematic name is 1,3-difluoro-5-methoxybenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxidants. It is used as intermediates of pharmaceutical, pesticide and liquid crystal.

Physical properties of Benzene,1,3-difluoro-5-methoxy- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.56; (6)ACD/BCF (pH 7.4): 37.56; (7)ACD/KOC (pH 5.5): 466.45; (8)ACD/KOC (pH 7.4): 466.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 32.91 cm3; (15)Molar Volume: 121.8 cm3; (16)Polarizability: 13.05×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 43.9 °C; (20)Enthalpy of Vaporization: 34.02 kJ/mol; (21)Boiling Point: 116.6 °C at 760 mmHg; (22)Vapour Pressure: 21.5 mmHg at 25°C.

Uses of Benzene,1,3-difluoro-5-methoxy-: it can be used to produce 3-(trifluoromethoxy)phenylboronic acid at the temperature of -78 °C. It will need reagent n-butyllithium and solvents hexane, tetrahydrofuran with the reaction time of 2.5 hours. The yield is about 99%.

Benzene,1,3-difluoro-5-methoxy- can be used to produce 3-(trifluoromethoxy)phenylboronic acid at the temperature of -78 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should keep the container tightly closed and in a well-ventilated place. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)cc(OC)c1
(2)Std. InChI: InChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(3)Std. InChIKey: OTGQPYSISUUHAF-UHFFFAOYSA-N