Diphenylcyclopropenone - CAS 886-38-4

Catalog:	BB039088
Product Name:	Diphenylcyclopropenone
CAS:	886-38-4
Synonyms:	2,3-diphenylcycloprop-2-en-1-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3-diphenylcycloprop-2-en-1-one
Description:	Diphenylcyclopropenone (CAS# 886-38-4) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C15H10O
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
InChI:	InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChI Key:	HCIBTBXNLVOFER-UHFFFAOYSA-N
Boiling Point:	407.2 °C at 760 mmHg
Melting Point:	119-121 °C
Purity:	95 %
Density:	1.232 g/cm³
Appearance:	Beige crystalline powder.
Storage:	Refrigerator (+4 °C)
MDL:	MFCD00001311
LogP:	3.18010

Publication Number	Title	Priority Date
CN-112826892-A	Traditional Chinese medicine for treating alopecia areata, androgenetic alopecia and white hair and preparation method of medicine thereof	20210316
CN-112939994-A	Method for carrying out reaction of isatin compound and cyclopropenone compound under low catalytic amount	20210310
CN-112958154-A	Application of silicon-amino rare earth compound in catalyzing reaction of isatin compound and cyclopropenone compound	20210307
CN-112961166-A	Catalytic preparation of pyrano [2,3-b]Process for preparing indol-2-one compounds	20210307
CN-112898256-A	Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound	20210129

PMID	Publication Date	Title	Journal
26795242	20160401	SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study	Toxicology in vitro : an international journal published in association with BIBRA
25236440	20150201	Human relevance of an in vitro gene signature in HaCaT for skin sensitization	Toxicology in vitro : an international journal published in association with BIBRA
24385090	20140101	Systemic immunogenicity of para-Phenylenediamine and Diphenylcyclopropenone: two potent contact allergy-inducing haptens	Immunologic research
23795734	20130601	High altitude impairs in vivo immunity in humans	High altitude medicine & biology
22594804	20121101	Allergic contact dermatitis induces upregulation of identical microRNAs in humans and mice	Contact dermatitis

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (89.13%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.073164938
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3