CAS No.51012-65-8,2'-METHYLPHENACYL BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51012-65-8
Name:	2'-METHYLPHENACYL BROMIDE
Article Data:	10

Formula:	C₉H₉BrO
Molecular Weight:	213.074
Synonyms:	2-Bromo-1-(2-methylphenyl)ethanone;2-Bromo-1-o-tolylethanone;2-Bromo-2'-methylacetophenone;2-Methylphenacylbromide;ethanone, 2-bromo-1-(2-methylphenyl)-;2-Bromo-1-O-tolyl-ethanone;
Density:	1.416 g/cm³
Boiling Point:	257.251 °C at 760 mmHg
Flash Point:	69.85 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
PSA:	17.07000
LogP:	2.57260

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Specification

The Ethanone,2-bromo-1-(2-methylphenyl)-, with the CAS registry number 51012-65-8, has the systematic name of 2-bromo-1-(2-methylphenyl)ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₉BrO.

The characteristics of Ethanone,2-bromo-1-(2-methylphenyl)- are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 61; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 659; (8)ACD/KOC (pH 7.4): 659; (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: 1.563; (14)Molar Refractivity: 48.838 cm³; (15)Molar Volume: 150.421 cm³; (16)Polarizability: 19.361×10^-24cm³; (17)Surface Tension: 41.697 dyne/cm; (18)Density: 1.416 g/cm³; (19)Flash Point: 69.85 °C; (20)Enthalpy of Vaporization: 49.48 kJ/mol; (21)Boiling Point: 257.251 °C at 760 mmHg; (22)Vapour Pressure: 0.015 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(CBr)c1ccccc1C
(2)InChI: InChI=1/C9H9BrO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,6H2,1H3
(3)InChIKey: XMGAXELQRATLJP-UHFFFAOYAJ