2-Chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone supplier

Name
2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE
EINECS
CAS No. 57196-63-1
Density 1.051 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇ClO
Boiling Point 350.4 °C at 760 mmHg
Molecular Weight 224.7265
Flash Point 198.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-1-(pentamethylphenyl)ethanone;
PSA 17.07000
LogP 3.65010

2-Chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone Specification

The 2-Chloro-1-(2, 3, 4, 5, 6-pentamethylphenyl)ethanone, with the CAS registry number 57196-63-1, is also known as 2-Chloro-1-(pentamethylphenyl)ethanone. This chemical's molecular formula is C₁₃H₁₇ClO and molecular weight is 224.7328. What's more, its IUPAC name is 2-Chloro-1-(2, 3, 4, 5, 6-pentamethylphenyl)ethanone.

Physical properties about 2-Chloro-1-(2, 3, 4, 5, 6-pentamethylphenyl)ethanone are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 836.05; (6)ACD/BCF (pH 7.4): 836.05; (7)ACD/KOC (pH 5.5): 4298.69; (8)ACD/KOC (pH 7.4): 4298.69; (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: 1.522; (14)Molar Refractivity: 65.25 cm³; (15)Molar Volume: 213.7 cm³; (16)Polarizability: 25.86×10^-24 cm³; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 59.5 kJ/mol; (21)Boiling Point: 350.4 °C at 760 mmHg; (22)Vapour Pressure: 4.41E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)c1c(c(c(c(c1C)C)C)C)C
(2) InChI: InChI=1/C13H17ClO/c1-7-8(2)10(4)13(12(15)6-14)11(5)9(7)3/h6H2,1-5H3
(3) InChIKey: SPPLVERXFNZFAP-UHFFFAOYAM

Product Name

2-CHLORO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)ETHAN-1-ONE

2-Chloro-1-(2,3,4,5,6-pentamethylphenyl)ethanone Specification

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