2,5-Di-tert-butyl-1,4-benzoquinone - CAS 2460-77-7
Catalog: |
BB018548 |
Product Name: |
2,5-Di-tert-butyl-1,4-benzoquinone |
CAS: |
2460-77-7 |
Synonyms: |
2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione |
IUPAC Name: | 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione |
Description: | 2,5-Di-tert-butyl-1,4-benzoquinone (CAS# 2460-77-7 ) is a useful research chemical. |
Molecular Weight: | 220.31 |
Molecular Formula: | C14H20O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C |
InChI: | InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3 |
InChI Key: | ZZYASVWWDLJXIM-UHFFFAOYSA-N |
Boiling Point: | 285.4 °C at 760 mmHg |
Melting Point: | 152.5 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.027 g/cm3 |
Solubility: | Insol in water; sol in ether, Benzene, Acetic acid, Hot alcohol |
Appearance: | Yellow to golden crystalline powder |
MDL: | MFCD00019442 |
LogP: | 3.08320 |
GHS Hazard Statement: | H315 (98.77%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19317407 | 20090420 | Synthesis and characterization of V(V)(3,6-DBSQ)(3,6-DBCat)2, a d(0) metal complex with dioxygenase catalytic activity | Inorganic chemistry |
16172669 | 20051001 | Microwave enhanced electroanalysis of formulations: processes in micellar media at glassy carbon and at platinum electrodes | The Analyst |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.146329876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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