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2417-00-7

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Basic Information
CAS No.: 2417-00-7
Name: 3,3'-DIMETHYL-5,5'-DITERT-BUTYL-DIPHENOQUINONE
Article Data: 21
Molecular Structure:
Molecular Structure of 2417-00-7 (3,3'-DIMETHYL-5,5'-DITERT-BUTYL-DIPHENOQUINONE)
Formula: C22H28O2
Molecular Weight: 324.46
Synonyms: 3,3'-Dimethyl-5,5'-di-tert-butyl-4,4'-diphenoquinone;
Density: 1.058g/cm3
Melting Point: 200 °C(Solv: water (7732-18-5); acetic acid (64-19-7))
Boiling Point: 433.2°Cat760mmHg
Flash Point: 161.7°C
PSA: 34.14000
LogP: 5.28600
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Chemistry

IUPAC Name: (4E)-2-tert-Butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one 
Following is the structure of 3,3'-Dimethyl-5,5'-di-tert-butyl-4,4'-diphenoquinone (CAS NO.2417-00-7):
                             
Empirical Formula: C22H28O2
Molecular Weight: 324.4565
Molar Refractivity: 97.44 cm3
Molar Volume: 306.4 cm3
Density: 1.058 g/cm3
Flash Point: 161.7 °C
Index of Refraction: 1.548
Surface Tension: 40 dyne/cm
Enthalpy of Vaporization: 68.91 kJ/mol
Boiling Point: 433.2 °C at 760 mmHg
Vapour Pressure of 3,3'-Dimethyl-5,5'-di-tert-butyl-4,4'-diphenoquinone (CAS NO.2417-00-7): 1.05E-07 mmHg at 25 °C
Product Categories of 3,3'-Dimethyl-5,5'-di-tert-butyl-4,4'-diphenoquinone (CAS NO.2417-00-7): electronic
Canonical SMILES: CC1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C)C=C(C1=O)C(C)(C)C
Isomeric SMILES: CC1=C/C(=C\2/C=C(C(=O)C(=C2)C(C)(C)C)C)/C=C(C1=O)C(C)(C)C
InChI: InChI=1S/C22H28O2/c1-13-9-15(11-17(19(13)23)21(3,4)5)16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12H,1-8H3/b16-15+
InChIKey: UTSXCYFVGSFPGR-FOCLMDBBSA-N

Specification

 3,3'-Dimethyl-5,5'-di-tert-butyl-4,4'-diphenoquinone , its cas register number is 2417-00-7. It also can be called (4E)-2-methyl-4-(3-methyl-4-oxo-5-tert-butyl-1-cyclohexa-2,5-dienylidene)-6-tert-butyl-cyclohexa-2,5-dien-1-one .