4'-BROMO-3-CHLOROPROPIOPHENONE

The CAS register number of 1-Propanone,1-(4-bromophenyl)-3-chloro- is 31736-73-9. It also can be called as 4'-Bromo-3-chloropropiophenone and the IUPAC name about this chemical is 1-(4-bromophenyl)-3-chloropropan-1-one. The molecular formula about this chemical is C₉H₈BrClO and the molecular weight is 247.52. It belongs to the following product categories which include C9; Carbonyl Compounds; Ketones and so on.

Physical properties about 1-Propanone,1-(4-bromophenyl)-3-chloro- are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 2.99; (3)ACD/LogD (pH 7.4): 2.99; (4)ACD/BCF (pH 5.5): 110.97; (5)ACD/BCF (pH 7.4): 110.97; (6)ACD/KOC (pH 5.5): 1012.92; (7)ACD/KOC (pH 7.4): 1012.92; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Ų; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 53.45 cm³; (13)Molar Volume: 165 cm³; (14)Polarizability: 21.19x10^-24cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Flash Point: 155.7 °C; (17)Enthalpy of Vaporization: 57.67 kJ/mol; (18)Boiling Point: 333.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000134 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-proπonyl chloride and bromobenzene. This reaction will need reagent AlCl₃.

Uses of 1-Propanone,1-(4-bromophenyl)-3-chloro-: it can be used to produce 4-p-bromophenyl-1,10-phenanthroline with quinolin-8-ylamine at temperature of 100 - 140 ℃. This reaction will need reagent 75percent H₃AsO₄, H₃PO₄ with reaction time of 1.5 hours. The yield is about 57%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)CCCl
(2)InChI: InChI=1/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2
(3)InChIKey: SYWQQEVHZPPLNQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2
(5)Std. InChIKey: SYWQQEVHZPPLNQ-UHFFFAOYSA-N