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4'-Methyl-3-chloropropiophenone

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Name

4'-Methyl-3-chloropropiophenone

EINECS N/A
CAS No. 22422-21-5 Density 1.106 g/cm3
PSA 17.07000 LogP 2.80660
Solubility N/A Melting Point 77-80 °C
Formula C10H11ClO Boiling Point 288.068 °C at 760 mmHg
Molecular Weight 182.65 Flash Point 146.33 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22422-21-5 (B-CHLORO-4-METHYLPROPIOPHENONE) Hazard Symbols IrritantXi
Synonyms

Propiophenone,3-chloro-4'-methyl- (6CI,7CI,8CI);2-Chloroethyl 4-methylphenyl ketone;3-Chloro-1-(4-methylphenyl)-1-propanone;3-Chloro-4'-methylpropiophenone;4'-Methyl-3-chloropropiophenone;b-Chloroethyl p-tolyl ketone;

Article Data 15

4'-Methyl-3-chloropropiophenone Specification

The 4'-Methyl-3-chloropropiophenone, with the CAS registry number 22422-21-5, is also known as 3-Chloro-1-(4-methylphenyl)-1-propanone. This chemical's molecular formula is C10H11ClO and molecular weight is 182.65. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-1-(4-methylphenyl)propan-1-one. 

Physical properties about 4'-Methyl-3-chloropropiophenone are: (1) ACD/LogP: 2.69; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 17.07 Å2; (7) Index of Refraction: 1.524; (8) Molar Refractivity: 50.58 cm3; (9) Molar Volume: 165.1 cm3; (10) Surface Tension: 37.3 dyne/cm; (11) Density: 1.106 g/cm3; (12) Flash Point: 146.3 °C; (13) Enthalpy of Vaporization: 52.73 kJ/mol; (14) Boiling Point: 288.1 °C at 760 mmHg; (15) Vapour Pressure: 0.00239 mmHg at 25 °C.

Preparation of 4'-Methyl-3-chloropropiophenone: this chemical is prepared by reaction of Methylbenzene with 3-Chloro-propionyl chloride.



This reaction needs reagent AlCl3 and solvent CH2Cl2 at ambient temperature. The reaction time is 4 hours. The yield is 79 %.

Uses of 4'-Methyl-3-chloropropiophenone: it is used to produce other chemicals. For example, it is used to produce 4-p-Tolyl-[1,10]phenanthroline.



The reaction occurs with reagent 75 percent H3AsO4, H3PO4 at temperature of 100-140 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C)CCCl
(2) InChI: InChI=1/C10H11ClO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3
(3) InChIKey: DAOWEVLVOUMCEY-UHFFFAOYAN

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