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| CAS No.: | 23022-83-5 |
|---|---|
| Name: | 1-Bromo-1-phenyl-2-propanone |
| Article Data: | 31 |
| Molecular Structure: | |
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| Formula: | C9H9BrO |
| Molecular Weight: | 213.074 |
| Synonyms: | 1-Bromo-1-phenylacetone;a-Bromo-a-phenylacetone;a-Bromobenzyl methyl ketone; |
| Density: | 1.422 g/cm3 |
| Boiling Point: | 248.443 °C at 760 mmHg |
| Flash Point: | 63.596 °C |
| PSA: | 17.07000 |
| LogP: | 2.71160 |
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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