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1,4-Diethoxybenzene

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Name

1,4-Diethoxybenzene

EINECS 204-585-5
CAS No. 122-95-2 Density 1.411 g/cm3
PSA 18.46000 LogP 2.48400
Solubility Insoluble in water Melting Point 69-72 °C(lit.)
Formula C10H14O2 Boiling Point 246 °C at 760 mmHg
Molecular Weight 166.22 Flash Point 88.2 °C
Transport Information N/A Appearance white crystalline powder, crystals or chunks
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 122-95-2 (1,4-Diethoxybenzene) Hazard Symbols IrritantXi
Synonyms

Benzene,p-diethoxy- (6CI,7CI,8CI);Hydroquinone diethyl ether;NSC2113;NSC 68808;p-Diethoxybenzene;

Article Data 30

1,4-Diethoxybenzene Specification

The Benzene, 1,4-diethoxy-, with CAS registry number 122-95-2, belongs to the following product category: Aromatic Ethers. It has the systematic name of 1,4-diethoxybenzene. This chemical is a kind of white crystalline powder, crystals or chunks. When use this chemical, avoid contact with skin and eyes. The main use of this chemical is for organic intermediate.

Physical properties of Benzene, 1,4-diethoxy-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 48.87 cm3; (11)Molar Volume: 170.4 cm3; (12)Polarizability: 19.37×10-24cm3; (13)Surface Tension: 30.3 dyne/cm; (14)Density: 0.975 g/cm3; (15)Flash Point: 88.2 °C; (16)Enthalpy of Vaporization: 46.35 kJ/mol; (17)Boiling Point: 246 °C at 760 mmHg; (18)Vapour Pressure: 0.0436 mmHg at 25°C.

Preparation: this chemical can be prepared by iodoethane and benzene-1,4-diol. This reaction will need reagent KOH.

Uses of Benzene, 1,4-diethoxy-: it can be used to produce 1,4-diethoxy-2,5-dichloro-benzene. This reaction will need reagent BTMA ICl4 and solvent acetic acid. The reaction time is 1 hour(s). The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(cc1)OCC
(2)InChI: InChI=1/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
(3)InChIKey: VWGNFIQXBYRDCH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: VWGNFIQXBYRDCH-UHFFFAOYSA-N

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