CAS No.59443-15-1,3'-BROMO-5'-CHLORO-2'-HYDROXYACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59443-15-1
Name:	3'-BROMO-5'-CHLORO-2'-HYDROXYACETOPHENONE
Article Data:	4

Formula:	C₈H₆BrClO₂
Molecular Weight:	249.491
Synonyms:	1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethanone;3-Bromo-5-chloro-2-hydroxyacetophenone;3'-Bromo-5'-chloro-2'-hydroxyacetophenone;
Density:	1.691 g/cm³
Melting Point:	100-103 °C
Boiling Point:	297.8 °C at 760 mmHg
Flash Point:	133.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	3.01070

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Specification

The IUPAC name of 3'-Bromo-5'-chloro-2'-hydroxyacetophenone is 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone. With the CAS registry number 59443-15-1, it is also named as Ethanone,1-(3-bromo-5-chloro-2-hydroxyphenyl)-. The product's category is Aromatic Acetophenones & Derivatives (substituted). It should be stored in sealed container in cool and dry place. In addition, its molecular formula is C₈H₆BrClO₂ and its molecular weight is 249.49.

The other characteristics of 3'-Bromo-5'-chloro-2'-hydroxyacetophenone can be summarized as: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 974.69; (6)ACD/BCF (pH 7.4): 841.6; (7)ACD/KOC (pH 5.5): 4794.94; (8)ACD/KOC (pH 7.4): 4140.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 50.74 cm³; (14)Molar Volume: 147.5 cm³; (15)Surface Tension: 50.7 dyne/cm; (16)Density: 1.691 g/cm³; (17)Flash Point: 133.9 °C; (18)Melting point: 100-103 °C; (19)Enthalpy of Vaporization: 55.91 kJ/mol; (20)Boiling Point: 297.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000747 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(Cl)cc(C(=O)C)c1O
(2)InChI: InChI=1/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3
(3)InChIKey: FFAVKFQPEOGJOA-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3
(5)Std. InChIKey: FFAVKFQPEOGJOA-UHFFFAOYSA-N