2-Phenylhydroquinone - CAS 1079-21-6

Catalog:	BB002147
Product Name:	2-Phenylhydroquinone
CAS:	1079-21-6
Synonyms:	2-phenylbenzene-1,4-diol

Technical Data

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Computed Properties

IUPAC Name:	2-phenylbenzene-1,4-diol
Description:	2-Phenylhydroquinone (CAS# 1079-21-6) is a compound useful in organic synthesis.
Molecular Weight:	186.21
Molecular Formula:	C12H10O2
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C=CC(=C2)O)O
InChI:	InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
InChI Key:	XCZKKZXWDBOGPA-UHFFFAOYSA-N
Boiling Point:	383 ℃ at 760 mmHg
Purity:	97 %
Density:	1.228 g/cm³
Appearance:	White to beige to gray powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00002342
LogP:	2.76480

Publication Number	Title	Priority Date
CN-113429788-A	PPSU reclaimed material and preparation process thereof	20210624
CN-113351457-A	Teflon corrugated pipe inner buckling connector and preparation method thereof	20210617
CN-113372550-A	Flame-retardant plasticizer and flame-retardant polymer-based composite material	20210603
CN-113308063-A	Flexible control cable for industrial robot	20210526
CN-113214393-A	IL-6 antibody or antigen-binding fragment thereof and detection kit comprising same	20210525

PMID	Publication Date	Title	Journal
23665931	20130101	Phenylhydroquinone induces loss of thymocytes through cell cycle arrest and apoptosis elevation in p53-dependent pathway	The Journal of toxicological sciences
21353727	20110501	Discovery of novel SERCA inhibitors by virtual screening of a large compound library	European journal of medicinal chemistry
20498710	20100513	Effective melanoma immunotherapy in mice by the skin-depigmenting agent monobenzone and the adjuvants imiquimod and CpG	PloS one
20467201	20100101	Hydroquinone, a benzene metabolite, induces Hog1-dependent stress response signaling and causes aneuploidy in Saccharomyces cerevisiae	Journal of radiation research
19117760	20090201	Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H315 (90.7%): 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

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.068079557
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2