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153275-53-7

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Basic Information
CAS No.: 153275-53-7
Name: CHLOROACETYL-1,2,3,4-TETRAMETHYLBENZENE
Molecular Structure:
Molecular Structure of 153275-53-7 (CHLOROACETYL-1,2,3,4-TETRAMETHYLBENZENE)
Formula: C12H15ClO
Molecular Weight: 210.7
Synonyms: 2-Chloro-1-(2,3,4,5-tetramethylphenyl)ethanone;Chloroacetyl-1,2,3,4-tetramethylbenzene;
Density: 1.067 g/cm3
Boiling Point: 333.1 °C at 760 mmHg
Flash Point: 182.8 ºC
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 17.07000
LogP: 3.34170
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Specification

The Ethanone,2-chloro-1-(2,3,4,5-tetramethylphenyl)-, with the CAS registry number 153275-53-7, is also known as Chloroacetyl-1,2,3,4-tetramethylbenzene. This chemical's molecular formula is C12H15ClO and molecular weight is 210.7. What's more, its systematic name is 2-chloro-1-(2,3,4,5-tetramethylphenyl)ethanone.

Physical properties of Ethanone,2-chloro-1-(2,3,4,5-tetramethylphenyl)- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 373.74; (6)ACD/BCF (pH 7.4): 373.74; (7)ACD/KOC (pH 5.5): 2415.76; (8)ACD/KOC (pH 7.4): 2415.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 60.42 cm3; (15)Molar Volume: 197.4 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 182.8 °C; (20)Enthalpy of Vaporization: 57.59 kJ/mol; (21)Boiling Point: 333.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)c1cc(c(c(c1C)C)C)C
(2)InChI: InChI=1S/C12H15ClO/c1-7-5-11(12(14)6-13)10(4)9(3)8(7)2/h5H,6H2,1-4H3
(3)InChIKey: OBBHUFRXYWYYLC-UHFFFAOYSA-N