1-Bromo-1-phenyl-2-propanone supplier

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Name
1-Bromo-1-phenyl-2-propanone
EINECS
CAS No. 23022-83-5
Article Data31
CAS DataBase
Density 1.422 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO
Boiling Point 248.443 °C at 760 mmHg
Molecular Weight 213.074
Flash Point 63.596 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-1-phenylacetone;a-Bromo-a-phenylacetone;a-Bromobenzyl methyl ketone;
PSA 17.07000
LogP 2.71160

1-Bromo-1-phenyl-2-propanone Specification

The 2-Propanone,1-bromo-1-phenyl-, with the CAS registry number 23022-83-5, is also known as 1-Bromo-1-phenylacetone. This chemical's molecular formula is C₉H₉BrO and molecular weight is 213.07. What's more, its systematic name is 1-bromo-1-phenylpropan-2-one. It is used as an intermediate of rodenticide.

Physical properties of 2-Propanone,1-bromo-1-phenyl- are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.84; (6)ACD/BCF (pH 7.4): 34.84; (7)ACD/KOC (pH 5.5): 442.04; (8)ACD/KOC (pH 7.4): 442.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 48.19 cm³; (15)Molar Volume: 149.8 cm³; (16)Polarizability: 19.1×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.422 g/cm³; (19)Flash Point: 63.6 °C; (20)Enthalpy of Vaporization: 48.56 kJ/mol; (21)Boiling Point: 248.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0242 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylacetone and bromine at the temperature of 30 °C. This reaction will need solvent benzene.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(Br)c1ccccc1)C
(2)Std. InChI: InChI=1S/C9H9BrO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3
(3)Std. InChIKey: LHMXBAUNIRFZCP-UHFFFAOYSA-N

Product Name

1-Bromo-1-phenyl-2-propanone

1-Bromo-1-phenyl-2-propanone Specification

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