Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromophenylglyoxal hydrate |
EINECS | N/A |
CAS No. | 80352-42-7 | Density | 1.743g/cm3 |
PSA | 57.53000 | LogP | 0.94250 |
Solubility | N/A | Melting Point |
132°C |
Formula | C8H7BrO3 | Boiling Point | 340 °C at 760 mmHg |
Molecular Weight | 231.046 | Flash Point | 159.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
NSC 152032;Ethanone, 1-(4-bromophenyl)-2,2-dihydroxy-;4-Bromophenylglyoxal hydrate; |
Article Data | 39 |
The Ethanone,1-(4-bromophenyl)-2,2-dihydroxy-, with CAS registry number 80352-42-7, has the systematic name of 1-(4-bromophenyl)-2,2-dihydroxyethanone. And the chemical formula of this chemical is C8H7BrO3.
Physical properties of Ethanone,1-(4-bromophenyl)-2,2-dihydroxy-: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 46.99 cm3; (9)Molar Volume: 132.5 cm3; (10)Polarizability: 18.63×10-24cm3; (11)Surface Tension: 63.2 dyne/cm; (12)Enthalpy of Vaporization: 61.59 kJ/mol; (13)Vapour Pressure: 3.42E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-bromo-phenyl)-ethanone. This reaction will need reagents aq. HBr, DMSO. The reaction time is 24 hour(s) with reaction temperature of 55 ℃. The yield is about 86%.
Uses of Ethanone,1-(4-bromophenyl)-2,2-dihydroxy-: it can be used to produce 1-(4-bromo-phenyl)-2-hydroxy-2-(1H-indol-3-yl)-ethanone. This reaction will need reagent benzene. The reaction time is 2 hour(s) with reaction temperature of 80 ℃. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)C(O)O
(2)InChI: InChI=1/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,8,11-12H
(3)InChIKey: ILCZYZUBDFQDDB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,8,11-12H
(5)Std. InChIKey: ILCZYZUBDFQDDB-UHFFFAOYSA-N