CAS No.120-44-5,Desoxyanisoin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	120-44-5
Name:	Desoxyanisoin
Article Data:	90

Formula:	C₁₆H₁₆O₃
Molecular Weight:	256.301
Synonyms:	Acetophenone,4'-methoxy-2-(p-methoxyphenyl)- (6CI,7CI,8CI);1,2-Bis(4-methoxyphenyl)ethanone;1,2-Bis(p-methoxyphenyl)ethanone;1,2-Di-p-anisylethanone;4,4'-Dimethoxydeoxybenzoin;4-Methoxybenzyl4-methoxyphenyl ketone;4'-Methoxy-2-(4-methoxyphenyl)acetophenone;4'-Methoxy-2-(p-methoxyphenyl)acetophenone;Deoxy-p-anisoin;Deoxyanisoin;Desoxy-p-anisoin;NSC 26660;NSC 8793;p-Methoxybenzyl p-methoxyphenyl ketone;a-(p-Methoxyphenyl)-p-methoxyacetophenone;
EINECS:	204-396-8
Density:	1.115 g/cm³
Melting Point:	110-112 °C(lit.)
Boiling Point:	415.6 °C at 760 mmHg
Flash Point:	196.9 °C
Solubility:	Sparingly soluble in water.
Appearance:	white to slightly yellow crystals
Safety:	24/25
PSA:	35.53000
LogP:	3.12920

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Specification

The Ethanone,1,2-bis(4-methoxyphenyl)-, with its CAS registry number 120-44-5, has the IUPAC name of 1,2-bis(4-methoxyphenyl)ethanone. And it has the molecular formula of C₁₆H₁₆O₃ and the molecular weight of 256.3. For being a kind of white to slightly yellow crystals, it belongs to the product categories which include Aromatic Ketones (substituted). When you are using this chemical, you should avoid contacting with skin and eyes. In addition, when store it, you should keep it in the dry and well-ventilated place, away from the strong acid, and the combustion sources.

The characteristics of Ethanone,1,2-bis(4-methoxyphenyl)- are as follows: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.93; (6)ACD/BCF (pH 7.4): 150.93; (7)ACD/KOC (pH 5.5): 1262.36; (8)ACD/KOC (pH 7.4): 1262.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 74.12 cm³; (15)Molar Volume: 229.6 cm³; (16)Polarizability: 29.38×10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.115 g/cm³; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 66.87 kJ/mol; (21)Boiling Point: 415.6 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-07 mmHg at 25°C; (23)Exact Mass: 256.109944; (24)MonoIsotopic Mass: 256.109944; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 19; (27)Complexity: 274; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Acceptor Count: 3; (30)Feature 3D Ring Count: 2.

Use of this chemical: Ethanone,1,2-bis(4-methoxyphenyl)- could react to produce a-bromo-4,4'-dimethoxy-deoxybenzoin, and this reaction could happen in the reagent of CCl₄and bromine.

Production method of this chemical: 2-hydroxy-1,2-bis-(4-methoxy-phenyl)-ethanone could react to produce Ethanone,1,2-bis(4-methoxyphenyl)-, and this reaction could happen in the reagent of Sn, cc. HCl.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
(2)InChI: InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3
(3)InChIKey: SICBLYCPRWNHHP-UHFFFAOYSA-N