CAS No.50690-08-9,Ethanone, 2-chloro-1-(3,4-dimethylphenyl)- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50690-08-9
Name:	Ethanone, 2-chloro-1-(3,4-dimethylphenyl)- (9CI)
Article Data:	8

Formula:	C₁₀H₁₁ClO
Molecular Weight:	182.65
Synonyms:	Acetophenone,2-chloro-3',4'-dimethyl- (6CI);2-Chloro-1-(3,4-dimethylphenyl)ethanone;3,4-Dimethylphenacyl chloride;1-(3,4-Dimethylphenyl)-2-chloroethan-1-one;
Density:	1.107 g/cm³
Boiling Point:	287.8 °C at 760 mmHg
Flash Point:	146.2 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	17.07000
LogP:	2.72490

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Specification

The Ethanone,2-chloro-1-(3,4-dimethylphenyl)-, with the CAS registry number 50690-08-9, is also known as 3,4-Dimethylphenacyl chloride. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C₁₀H₁₁ClO and molecular weight is 182.65. What's more, its IUPAC name is 2-chloro-1-(3,4-dimethylphenyl)ethanone.

Physical properties of Ethanone,2-chloro-1-(3,4-dimethylphenyl)- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 50.77 cm³; (9)Molar Volume: 164.8 cm³; (10)Polarizability: 20.13×10^-24cm³; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 1.107 g/cm³; (13)Flash Point: 146.2 °C; (14)Enthalpy of Vaporization: 52.7 kJ/mol; (15)Boiling Point: 287.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00244 mmHg at 25°C.

Uses of Ethanone,2-chloro-1-(3,4-dimethylphenyl)-: it can be used to produce [2-chloro-1-(3,4-dimethyl-phenyl)-1-hydroxy-ethyl]-phosphonic acid dimethyl ester at the temperature of -20 °C. It will need solvent methanol with the reaction time of 24 hours. The yield is about 65%.

Ethanone,2-chloro-1-(3,4-dimethylphenyl)- can be used to produce [2-chloro-1-(3,4-dimethyl-phenyl)-1-hydroxy-ethyl]-phosphonic acid dimethyl ester at the temperature of -20 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)C(=O)CCl)C
(2)InChI: InChI=1S/C10H11ClO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5H,6H2,1-2H3
(3)InChIKey: DFSBSZYRJJTTDU-UHFFFAOYSA-N