Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl- supplier

Name
Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-
EINECS
CAS No. 1242-76-8
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₄
Boiling Point 520.3 °C at 760 mmHg
Molecular Weight 324.466
Flash Point 265.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4-Tetrahydro-2,2,9-trimethylpicene;2,2,9-Trimethyl-1,2,3,4-tetrahydropicene;
PSA 0.00000
LogP 6.96950

Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl- Specification

The Picene, 1, 2, 3, 4-tetrahydro-2, 2, 9-trimethyl-, with the CAS registry number of 1242-76-8, is also known as 2, 2, 9-Trimethyl-1, 2, 3, 4-tetrahydropicene. This chemical's molecular formula is C₂₅H₂₄ and molecular weight is 324.4581. What's more, its IUPAC name is 2, 2, 9-Trimethyl-3, 4-dihydro-1H-picene.

Physical properties about Picene, 1, 2, 3, 4-tetrahydro-2, 2, 9-trimethyl- are: (1)ACD/LogP: 9.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.09; (4)ACD/LogD (pH 7.4): 9.09; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2096121.13; (8)ACD/KOC (pH 7.4): 2096121.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 110.71 cm³; (15)Molar Volume: 293.2 cm³; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.106 g/cm³; (18)Flash Point: 265.5 °C; (19)Enthalpy of Vaporization: 76.34 kJ/mol; (20)Boiling Point: 520.3 °C at 760 mmHg; (21)Vapour Pressure: 2.08E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c21ccc5c(c1ccc4c2ccc3c(cccc34)C)CC(C)(C)CC5
(2) InChI: InChI=1/C25H24/c1-16-5-4-6-19-18(16)9-10-22-20-8-7-17-13-14-25(2,3)15-24(17)23(20)12-11-21(19)22/h4-12H,13-15H2,1-3H3
(3) InChIKey: QTTSLFHFYFQOPR-UHFFFAOYAW

Product Name

Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl-

Picene,1,2,3,4-tetrahydro-2,2,9-trimethyl- Specification

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