Pyrene,4,5,9,10-tetrahydro- supplier

Name
4,5,9,10-TETRAHYDROPYRENE
EINECS
CAS No. 781-17-9
Article Data20
CAS DataBase
Density 1.162 g/cm³
Solubility
Melting Point 138.0 to 142.0 °C
Formula C₁₆H₁₄
Boiling Point 349.1 °C at 760 mmHg
Molecular Weight 206.287
Flash Point 176.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5,9,10-Tetrahydropyrene;
PSA 0.00000
LogP 3.55080

Pyrene,4,5,9,10-tetrahydro- Specification

The Pyrene,4,5,9,10-tetrahydro- is an organic compound with the formula C₁₆H₁₄. The IUPAC name of this chemical is 4,5,9,10-tetrahydropyrene. With the CAS registry number 781-17-9, the product's category is Pyrenes.

Physical properties about Pyrene,4,5,9,10-tetrahydro- are: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.78; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 14531.07; (6)ACD/BCF (pH 7.4): 14531.07; (7)ACD/KOC (pH 5.5): 33186.41; (8)ACD/KOC (pH 7.4): 33186.41; (9)Index of Refraction: 1.666; (10)Molar Refractivity: 65.96 cm³; (11)Molar Volume: 177.4 cm³; (12)Polarizability: 26.15×10^-24cm³; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.162 g/cm³; (15)Flash Point: 176.1 °C; (16)Enthalpy of Vaporization: 57.01 kJ/mol; (17)Boiling Point: 349.1 °C at 760 mmHg; (18)Vapour Pressure: 9.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2ccc4c3c1c(cccc1CCc23)CC4
(2)InChI: InChI=1/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
(3)InChIKey: XDFUNRTWHPWCKO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2
(5)Std. InChIKey: XDFUNRTWHPWCKO-UHFFFAOYSA-N

Product Name

4,5,9,10-TETRAHYDROPYRENE

Pyrene,4,5,9,10-tetrahydro- Specification

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