Ethanone,2-chloro-1-(2,3,4,5-tetramethylphenyl)- supplier

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

Ethanone,2-chloro-1-(2,3,4,5-tetramethylphenyl)- 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

Product Name

CHLOROACETYL-1,2,3,4-TETRAMETHYLBENZENE

Ethanone,2-chloro-1-(2,3,4,5-tetramethylphenyl)- Specification

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