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| CAS No.: | 6263-83-8 |
|---|---|
| Name: | 1,5-DIPHENYL-1,5-PENTANEDIONE |
| Article Data: | 58 |
| Molecular Structure: | |
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| Formula: | C17H16O2 |
| Molecular Weight: | 252.313 |
| Synonyms: | 1,3-Dibenzoylpropane;1,5-Diphenyl-1,5-pentanedione;NSC 46678; |
| Density: | 1.097 g/cm3 |
| Melting Point: | 66-68 °C(lit.) |
| Boiling Point: | 421.7 °C at 760 mmHg |
| Flash Point: | 157.7 °C |
| Appearance: | white to light beige crystalline powder |
| Safety: | 24/25 |
| PSA: | 34.14000 |
| LogP: | 3.92250 |
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- Total:17 Page 1 of 1 1
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Specification
The 1,3-Dibenzoylpropane, with the CAS registry number 6263-83-8, is also known as 1,5-Diphenyl-1,5-pentanedione. This chemical's molecular formula is C17H16O2 and molecular weight is 252.31. Its IUPAC name is called 1,5-diphenylpentane-1,5-dione. This chemical is white to light beige crystalline powder. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.
Physical properties of 1,3-Dibenzoylpropane: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 291.59; (6)ACD/BCF (pH 7.4): 291.59; (7)ACD/KOC (pH 5.5): 2022.5; (8)ACD/KOC (pH 7.4): 2022.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 75.14 cm3; (14)Molar Volume: 229.8 cm3; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.097 g/cm3; (17)Flash Point: 157.7 °C; (18)Enthalpy of Vaporization: 67.57 kJ/mol; (19)Boiling Point: 421.7 °C at 760 mmHg; (20)Vapour Pressure: 2.56E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,6-bis-dimethylamino-2,6-diphenyl-heptanedinitrile. This reaction will need reagent aq. HCl.
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Uses of 1,3-Dibenzoylpropane: it can be used to produce 1,5-diphenyl-pentane-1,5-diol at temperature of 100 °C. This reaction will need reagent H2, aniline and solvent methanol. The yield is about 88%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C17H16O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
(3)InChIKey: YOLLTWVIOASMFW-UHFFFAOYSA-N