677275-33-1 price
1.Introduction of 677275-33-1
1,4,7,10-Tetra(tert-butyl)perylene has the CAS registry number of 677275-33-1. It has synonyms of 1,4,7,10-Tetr
1.Introduction of 677275-33-1
1,4,7,10-Tetra(tert-butyl)perylene has the CAS registry number of 677275-33-1. It has synonyms of 1,4,7,10-Tetra(tert-butyl)perylene; 1,4,7,10-Tetra(tert-; TBPe , 2,5,8,11-tert-tertbutylperylene; TBPe , 2,5,8,11-Tetra-tert-butylperylene; 2,5,8,11-tetra-tert-butylperylene/ TBPe. It is a kind of yellow powder with purity of 98.0%.
2.Properties of 677275-33-1
ACD/LogP: 13.155
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 13.16
ACD/LogD (pH 7.4): 13.16
ACD/BCF (pH 5.5): 1000000.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/KOC (pH 7.4): 10000000.00
#Freely Rotating Bonds: 4
Index of Refraction: 1.626
Molar Refractivity: 163.856 cm3
Molar Volume: 462.844 cm3
Polarizability: 64.957 10-24cm3
Surface Tension: 37.5400009155273 dyne/cm
Density: 1.03 g/cm3
Flash Point: 319.124 °C
Enthalpy of Vaporization: 85.406 kJ/mol
Boiling Point: 595.011 °C at 760 mmHg
3.Structure Descriptors of 677275-33-1
(1)InChI: InChI=1S/C36H44/c1-33(2,3)25-17-15-23-29-21(25)13-19-27(35(7,
8)9)31(29)24-16-18-26(34(4,5)6)22-14-20-28(36(10,
11)12)32(23)30(22)24/h13-20H,1-12H3
(2)InChIKey: UUGBGJGAHVLTRN-UHFFFAOYSA-N
(3)Canonical SMILES : CC(C)(C)C1=C2C=CC(=C3C2=C(C=C1)C4=C(C=CC5=C(C=CC3=C54)C(C)(C)C)C(C)(C)C)
C(C)(C)C
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