Ethanone,1-(3-bromophenyl)-2,2-dihydroxy- supplier

Name
3-BROMOPHENYLGLYOXAL HYDRATE
EINECS
CAS No. 106134-16-1
Article Data5
CAS DataBase
Density 1.743±0.06 g/cm3(Predicted)
Solubility
Melting Point 118-120 °C
Formula C₈H₇BrO₃
Boiling Point 360.8 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 172 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms (3-Bromophenyl)(oxo)acetaldehyde hydrate (1:1);Benzeneacetaldehyde, 3-bromo-α-oxo-, hydrate (1:1);
PSA 57.53000
LogP 0.94250

Ethanone,1-(3-bromophenyl)-2,2-dihydroxy- Specification

The Ethanone,1-(3-bromophenyl)-2,2-dihydroxy-, with the CAS registry number 106134-16-1, is also known as (3-Bromophenyl)(oxo)acetaldehyde hydrate (1:1). This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its IUPAC name is 2-(3-Bromophenyl)-2-oxoacetaldehyde.

Physical properties of Ethanone,1-(3-bromophenyl)-2,2-dihydroxy- are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 46.99; (8)ACD/KOC (pH 7.4): 46.99; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å²; (13)Flash Point: 172 °C; (14)Enthalpy of Vaporization: 64 kJ/mol; (15)Boiling Point: 360.8 °C at 760 mmHg; (16)Vapour Pressure: 7.79E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)C=O
(2)InChI: InChI=1S/C8H5BrO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-5H
(3)InChIKey: ANVCBQQMGRYOGJ-UHFFFAOYSA-N

Product Name

3-BROMOPHENYLGLYOXAL HYDRATE

Ethanone,1-(3-bromophenyl)-2,2-dihydroxy- Specification

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