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2',4'-Dimethoxyacetophenone

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Name

2',4'-Dimethoxyacetophenone

EINECS 212-587-2
CAS No. 829-20-9 Density 1.066 g/cm3
PSA 35.53000 LogP 1.90640
Solubility N/A Melting Point 37-40 °C(lit.)
Formula C10H12O3 Boiling Point 288 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 127.1 °C
Transport Information N/A Appearance white to off-white crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 829-20-9 (2,4-Dimethoxyacetophenone) Hazard Symbols IrritantXi
Synonyms

Acetophenone,2,4-dimethoxy- (3CI);Acetophenone, 2',4'-dimethoxy- (6CI,7CI,8CI);1-(2,4-Dimethoxyphenyl)ethanone;NSC 46645;

Article Data 99

2',4'-Dimethoxyacetophenone Specification

The Ethanone,1-(2,4-dimethoxyphenyl)-, with CAS registry number 829-20-9, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Acetophenone series. It has the systematic name of 1-(2,4-dimethoxyphenyl)ethanone. This chemical is a kind of white to off-white crystalline powder. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Ethanone,1-(2,4-dimethoxyphenyl)-: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.62; (6)ACD/BCF (pH 7.4): 14.62; (7)ACD/KOC (pH 5.5): 237.46; (8)ACD/KOC (pH 7.4): 237.46; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 49.63 cm3; (15)Molar Volume: 168.9 cm3; (16)Polarizability: 19.67×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Enthalpy of Vaporization: 52.72 kJ/mol; (19)Vapour Pressure: 0.0024 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethoxy-benzene and acetyl chloride. This reaction will need reagent AlCl3.

Uses of Ethanone,1-(2,4-dimethoxyphenyl)-: it can be used to produce 1-ethyl-2,4-dimethoxy-benzene. This reaction will need reagents aqueous HCl, toluene, amalgamated zinc.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1OC)C
(2)InChI: InChI=1/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
(3)InChIKey: VQTDPCRSXHFMOL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3
(5)Std. InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N

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