2,7-Bis(2-methyl-2-propanyl)pyrene supplier

Name
2,7-Di-tert-butylpyrene
EINECS
CAS No. 24300-91-2
Article Data36
CAS DataBase
Density 1.064 g/cm³
Solubility
Melting Point 207.0 to 211.0 °C
Formula C₂₄H₂₆
Boiling Point 447.979 °C at 760 mmHg
Molecular Weight 314.47
Flash Point 222.394 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,7-Di-tert-butylpyrene;Pyrene,2,7-di-tert-butyl- (8CI);
PSA 0.00000
LogP 7.17900

2,7-Bis(2-methyl-2-propanyl)pyrene Specification

The Pyrene,2,7-bis(1,1-dimethylethyl)-, with the CAS registry number 24300-91-2, is also known as 2,7-Di-tert-butylpyrene. This chemical's molecular formula is C₂₄H₂₆ and molecular weight is 314.46. What's more, its systematic name is called 2,7-Bis(2-methyl-2-propanyl)pyrene.

Physical properties about Pyrene,2,7-bis(1,1-dimethylethyl)- are: (1)ACD/LogP: 8.638; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.64; (4)ACD/LogD (pH 7.4): 8.64; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1191022.00; (8)ACD/KOC (pH 7.4): 1191022.00; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 109.239 cm³; (15)Molar Volume: 295.353 cm³; (16)Polarizability: 43.306×10^-24 cm³; (17)Surface Tension: 40.648 dyne/cm; (18)Density: 1.065 g/cm³; (19)Flash Point: 222.394 °C; (20)Enthalpy of Vaporization: 67.924 kJ/mol; (21)Boiling Point: 447.979 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c3c(cc2ccc1cc(cc4c1c2c3cc4)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1S/C24H26/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3
(3) InChIKey: SKZSSCAGJZEXEA-UHFFFAOYSA-N

Product Name

2,7-Di-tert-butylpyrene

2,7-Bis(2-methyl-2-propanyl)pyrene Specification

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