Pyrene,7-(1,1-dimethylethyl)-1-methyl- supplier

Name
7-TERT-BUTYL-1-METHYLPYRENE
EINECS
CAS No. 155386-57-5
Article Data3
CAS DataBase
Density 1.112 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₀
Boiling Point 423 °C at 760 mmHg
Molecular Weight 272.39
Flash Point 204.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-tert-Butyl-1-methylpyrene;
PSA 0.00000
LogP 6.18990

Pyrene,7-(1,1-dimethylethyl)-1-methyl- Specification

The Pyrene,7-(1,1-dimethylethyl)-1-methyl-, with the CAS registry number 155386-57-5, is also known as CID3086683. This chemical's molecular formula is C₂₁H₂₀ and molecular weight is 272.3835. Its IUPAC name is called 7-tert-butyl-1-methylpyrene.

Physical properties of Pyrene,7-(1,1-dimethylethyl)-1-methyl-: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.32; (4)ACD/LogD (pH 7.4): 7.32; (5)ACD/BCF (pH 5.5): 215133.19; (6)ACD/BCF (pH 7.4): 215133.19; (7)ACD/KOC (pH 5.5): 228416.48; (8)ACD/KOC (pH 7.4): 228416.48; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.709; (11)Molar Refractivity: 95.67 cm³; (12)Molar Volume: 244.9 cm³; (13)Surface Tension: 45.2 dyne/cm; (14)Density: 1.112 g/cm³; (15)Flash Point: 204.5 °C; (16)Enthalpy of Vaporization: 65.1 kJ/mol; (17)Boiling Point: 423 °C at 760 mmHg; (18)Vapour Pressure: 5.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=CC3=C4C2=C(C=C1)C=CC4=CC(=C3)C(C)(C)C
(2)InChI: InChI=1S/C21H20/c1-13-5-6-14-7-8-15-11-17(21(2,3)4)12-16-9-10-18(13)20(14)19(15)16/h5-12H,1-4H3
(3)InChIKey: YMYRIGNUXGMIRL-UHFFFAOYSA-N

Product Name

7-TERT-BUTYL-1-METHYLPYRENE

Pyrene,7-(1,1-dimethylethyl)-1-methyl- Specification

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