4-Bromophenylglyoxal hydrate supplier

Name
4-Bromophenylglyoxal hydrate
EINECS
CAS No. 80352-42-7
Article Data39
CAS DataBase
Density 1.743g/cm³
Solubility
Melting Point 132°C
Formula C₈H₇BrO₃
Boiling Point 340 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 159.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 152032;Ethanone, 1-(4-bromophenyl)-2,2-dihydroxy-;4-Bromophenylglyoxal hydrate;
PSA 57.53000
LogP 0.94250

4-Bromophenylglyoxal hydrate Specification

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

Product Name

4-Bromophenylglyoxal hydrate

4-Bromophenylglyoxal hydrate Specification

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