CAS No.122-95-2,1,4-Diethoxybenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122-95-2
Name:	1,4-Diethoxybenzene
Article Data:	30

Formula:	C₁₀H₁₄O₂
Molecular Weight:	166.22
Synonyms:	Benzene,p-diethoxy- (6CI,7CI,8CI);Hydroquinone diethyl ether;NSC2113;NSC 68808;p-Diethoxybenzene;
EINECS:	204-585-5
Density:	1.411 g/cm³
Melting Point:	69-72 °C(lit.)
Boiling Point:	246 °C at 760 mmHg
Flash Point:	88.2 °C
Solubility:	Insoluble in water
Appearance:	white crystalline powder, crystals or chunks
Hazard Symbols:	Xi
Safety:	24/25
PSA:	18.46000
LogP:	2.48400

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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