2,5-Dimethyl-1,4-benzoquinone - CAS 137-18-8

Catalog:	BB008521
Product Name:	2,5-Dimethyl-1,4-benzoquinone
CAS:	137-18-8
Synonyms:	2,5-dimethylcyclohexa-2,5-diene-1,4-dione

Catalog	Size	Price	Stock	Quantity
BB008521	25 g	$298	In stock

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Technical Data

IUPAC Name:	2,5-dimethylcyclohexa-2,5-diene-1,4-dione
Description:	2,5-Xyloquinone was one of the reagents in the study of hydrogen-bonding and protonation effects in electrochemistry of quinones in aprotic solvents.
Molecular Weight:	136.15
Molecular Formula:	C8H8O2
Canonical SMILES:	CC1=CC(=O)C(=CC1=O)C
InChI:	InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChI Key:	MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Boiling Point:	200.9 °C at 760 mmHg
Purity:	> 98.0 % (GC) (T)
Density:	1.115 g/cm³
Appearance:	Yellow solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00041737
LogP:	1.03080
Vapor Pressure:	0.02 [mmHg]

GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
31935363	20200201	Benzoquinone derivatives with antioxidant activity inhibit activated hepatic stellate cells and attenuate liver fibrosis in TAA-induced mice	Chemico-biological interactions
18461966	20080611	Activity of 1,4-benzoquinones against formosan subterranean termites (Coptotermes formosanus)	Journal of agricultural and food chemistry
18173251	20080131	Does bimolecular charge recombination in highly exergonic electron transfer afford the triplet excited state or the ground state of a photosensitizer?	The journal of physical chemistry. A
17580883	20070719	Enantioselective total synthesis of cyathin A3	Organic letters
17169398	20070601	Quinone-induced inhibition of urease: elucidation of its mechanisms by probing thiol groups of the enzyme	Bioorganic chemistry

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.052429494
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3