CAS No.40180-80-1,3'-BROMO-4'-METHYLACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40180-80-1
Name:	3'-BROMO-4'-METHYLACETOPHENONE
Article Data:	12

Formula:	C₉H₉BrO
Molecular Weight:	213.074
Synonyms:	Acetophenone, 3'-bromo-4'-methyl- (6CI,7CI);1-(3-Bromo-4-methylphenyl)ethanone;3-Bromo-4-methylacetophenone;3'-Bromo-4'-methylacetophenone;
Density:	1.388 g/cm³
Melting Point:	42-46 °C(lit.)
Boiling Point:	279.3 °C at 760 mmHg
Flash Point:	85.5 °C
PSA:	17.07000
LogP:	2.96010

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Specification

The CAS register number of Ethanone, 1-(3-bromo-4-methylphenyl)- is 40180-80-1. It also can be called as 3'-Bromo-4'-methylacetophenone and the systematic name about this chemical is 1-(3-bromo-4-methylphenyl)ethanone. The molecular formula about this chemical is C₉H₉BrO and the molecular weight is 213.07. It belongs to the following product categories which include Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; Bromine Compounds; C9; Carbonyl Compounds; Ketones and so on.

Physical properties about Ethanone, 1-(3-bromo-4-methylphenyl)- are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 119.65; (5)ACD/BCF (pH 7.4): 119.65; (6)ACD/KOC (pH 5.5): 1069.01; (7)ACD/KOC (pH 7.4): 1069.01; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 48.79 cm³; (13)Molar Volume: 153.4 cm³; (14)Polarizability: 19.34x10^-24cm³; (15)Surface Tension: 37.8 dyne/cm; (16)Flash Point: 85.5 °C; (17)Enthalpy of Vaporization: 51.79 kJ/mol; (18)Boiling Point: 279.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00406 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C(=O)C)ccc1C
(2)InChI: InChI=1/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
(3)InChIKey: PDJLFESXPVLVMR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
(5)Std. InChIKey: PDJLFESXPVLVMR-UHFFFAOYSA-N