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Basic Information
CAS No.: 14090-88-1
Name: NONANE-4,6-DIONE
Article Data: 24
Molecular Structure:
Molecular Structure of 14090-88-1 (NONANE-4,6-DIONE)
Formula: C9H16O2
Molecular Weight: 156.225
Synonyms: Nonane-4,6-dione ,99%;
EINECS: 237-938-7
Density: 0.911 g/cm3
Boiling Point: 224.3 °C at 760 mmHg
Flash Point: 81.1 °C
PSA: 34.14000
LogP: 2.11490
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Specification

The 4,6-Nonanedione, with the CAS registry number of 14090-88-1, is also known as Nonane-4,6-dione ,99%. Its EINECS registry number is 237-938-7. This chemical's molecular formula is C9H16O2 and molecular weight is 156.22. What's more, its IUPAC name is Nonane-4,6-dione.

Physical properties about the 4,6-Nonanedione are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.95; (6)ACD/BCF (pH 7.4): 43.64; (7)ACD/KOC (pH 5.5): 521.92; (8)ACD/KOC (pH 7.4): 518.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 43.8 cm3; (15)Molar Volume: 171.3 cm3; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 0.911 g/cm3; (18)Flash Point: 81.1 °C; (19)Enthalpy of Vaporization: 46.08 kJ/mol; (20)Boiling Point: 224.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0921 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 6,8-Dipropyl-[1,2,4]triazolo[4,3-beta]pyridazine. This reaction needs solvent Acetic acid. The reaction time is 16 h. The yield is about 60 %.

The 4,6-Nonanedione can react with [1,2,4]Triazol-4-ylamine to get 6,8-Dipropyl-[1,2,4]triazolo[4,3-beta]pyridazine

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CCC)CC(=O)CCC
(2) InChI: InChI=1/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
(3) InChIKey: ZDYWPVCQPUPOJV-UHFFFAOYAT