CAS No.61791-99-9,2''-BROMO-4''-HYDROXYACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61791-99-9
Name:	2''-BROMO-4''-HYDROXYACETOPHENONE
Article Data:	3

Formula:	C₈H₇BrO₂
Molecular Weight:	215.046
Synonyms:	2''-Bromo-4''-hydroxyacetophenone;
Density:	1.586 g/cm³
Melting Point:	85-90 °C
Boiling Point:	344.1 °C at 760 mmHg
Flash Point:	161.9 °C
PSA:	37.30000
LogP:	2.35730

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Specification

The Ethanone, 1-(2-bromo-4-hydroxyphenyl)-, with the CAS registry number 61791-99-9, is also known as 2''-Bromo-4''-hydroxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C₈H₇BrO₂ and molecular weight is 215.05. What's more, its systematic name is called 1-(2-Bromo-4-hydroxyphenyl)ethanone.

Physical properties about Ethanone, 1-(2-bromo-4-hydroxyphenyl)- are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 39.35; (6)ACD/BCF (pH 7.4): 15.71; (7)ACD/KOC (pH 5.5): 479.63; (8)ACD/KOC (pH 7.4): 191.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 45.85 cm³; (15)Molar Volume: 135.5 cm³; (16)Surface Tension: 48.5 dyne/cm; (17)Density: 1.586 g/cm³; (18)Flash Point: 161.9 °C; (19)Enthalpy of Vaporization: 61.13 kJ/mol; (20)Boiling Point: 344.1 °C at 760 mmHg; (21)Vapour Pressure: 3.38E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1ccc(O)cc1Br
(2) InChI: InChI=1S/C8H7BrO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
(3) InChIKey: UHZMXDQVZPWRQD-UHFFFAOYSA-N