CAS No.42933-96-0,CLDQ Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42933-96-0
Name:	CLDQ

Formula:	C₂₄H₃₁ClO₂
Molecular Weight:	386.962
Synonyms:	3,3',5-Tri-tert-butyl-5'-chlorodiphenylquinone;CLDQ;3-Chloro-3',5,5'-tris(2-methyl-2-propanyl)-1,1'-bi(2,5-cyclohexadien-1-ylidene)-4,4'-dione [;
Density:	1.1±0.1 g/cm³
Boiling Point:	452.9±45.0 °C at 760 mmHg
Flash Point:	190.7±29.3 °C
PSA:	34.14000
LogP:	6.48860

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Specification

The 3-Chloro-3',5,5'-tri-tert-butyldiphenoquinon, with the CAS registry number 42933-96-0, is also known as 3,3',5-Tri-tert-butyl-5'-chlorodiphenylquinone. This chemical's molecular formula is C₂₄H₃₁ClO₂ and molecular weight is 386.95. What's more, its systematic name is 3-Chloro-3',5,5'-tris(2-methyl-2-propanyl)-1,1'-bi(2,5-cyclohexadien-1-ylidene)-4,4'-dione.

Physical properties of 3-Chloro-3',5,5'-tri-tert-butyldiphenoquinon are: (1)ACD/LogP: 5.69±0.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12371.99; (6)ACD/BCF (pH 7.4): 12371.99; (7)ACD/KOC (pH 5.5): 29577.18; (8)ACD/KOC (pH 7.4): 29577.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 112.4±0.4 cm³; (15)Molar Volume: 356.9±5.0 cm³; (16)Polarizability: 44.5±0.5×10^-24cm³; (17)Surface Tension: 38.0±5.0 dyne/cm; (18)Density: 1.1±0.1 g/cm³; (19)Flash Point: 190.7±29.3 °C; (20)Enthalpy of Vaporization: 71.2±3.0 kJ/mol; (21)Boiling Point: 452.9±45.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)Cl)C(C)(C)C)C=C(C1=O)C(C)(C)C
(2)Std. InChI: InChI=1S/C24H31ClO2/c1-22(2,3)16-10-14(11-17(20(16)26)23(4,5)6)15-12-18(24(7,8)9)21(27)19(25)13-15/h10-13H,1-9H3
(3)Std. InChIKey: BTAWLOMDHNZVPX-UHFFFAOYSA-N