CAS No.14444-77-0,DIETHYL PHENYL ORTHOFORMATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14444-77-0
Name:	DIETHYL PHENYL ORTHOFORMATE
Article Data:	6

Formula:	C₁₁H₁₆O₃
Molecular Weight:	196.246
Synonyms:	Orthoformic acid diethyl phenyl ester;
EINECS:	238-421-9
Density:	1.019 g/cm³
Melting Point:	-26°C
Boiling Point:	235.2 °C at 760 mmHg
Flash Point:	57.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-36
PSA:	27.69000
LogP:	2.42200

Total:19 Page 1 of 1 1

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Specification

The Benzene,(diethoxymethoxy)-, with the CAS registry number of 14444-77-0, is also known as Orthoformic acid diethyl phenyl ester. It belongs to the product categories of Orthoesters; Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 238-421-9. This chemical's molecular formula is C₁₁H₁₆O₃ and molecular weight is 196.24. What's more, its IUPAC name is diethoxymethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with light.

Physical properties about the Benzene,(diethoxymethoxy)- are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.27; (6)ACD/BCF (pH 7.4): 112.27; (7)ACD/KOC (pH 5.5): 1021.36; (8)ACD/KOC (pH 7.4): 1021.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 54.91 cm³; (15)Molar Volume: 192.5 cm³; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 1.019 g/cm³; (18)Flash Point: 57.2 °C; (19)Enthalpy of Vaporization: 45.28 kJ/mol; (20)Boiling Point: 235.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0777 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Phenol with Triethoxymethane. The reaction needs reagent HCl and solvent Ethanol. The yield is about 80 %.

The Benzene,(diethoxymethoxy)- can be obtained by reaction of Phenol and Triethoxymethane

Uses: it is used to produce other chemicals. For example, it is used to produce 5-Dimethylamino-1-naphthaldehyd-diethylacetal. This reaction needs reagent Mg. Meanwhile, it needs solvent Diethyl ether. The yield is about 85 %.

The Benzene,(diethoxymethoxy)- can react with 1-Dimethylamino-5-bromonaphthalene to get 5-Dimethylamino-1-naphthaldehyd-diethylacetal

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C(Oc1ccccc1)OCC)CC
(2) InChI: InChI=1/C11H16O3/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
(3) InChIKey: QTURWMMVIIBRRP-UHFFFAOYAC