4-Phenylurazole - CAS 15988-11-1

Catalog:	BB011580
Product Name:	4-Phenylurazole
CAS:	15988-11-1
Synonyms:	4-phenyl-1,2,4-triazolidine-3,5-dione

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	4-phenyl-1,2,4-triazolidine-3,5-dione
Description:	4-Phenylurazole (CAS# 15988-11-1) is a useful research chemical. A precursor to PTAD.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	C1=CC=C(C=C1)N2C(=O)NNC2=O
InChI:	InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)
InChI Key:	GOSUFRDROXZXLN-UHFFFAOYSA-N
Melting Point:	206-210 °C
Purity:	95 %
Density:	1.373 g/cm³
Appearance:	White to tan powder or crystals
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00005226
LogP:	-0.14610

Publication Number	Title	Priority Date
WO-2021137143-A1	Compositions for elastomeric compounds including polytetrazole cross-linking agents and tyres comprising the same	20191230
WO-2021097455-A2	Cured rubber network with covalent and hydrogen-bonded crosslinks	20191115
EP-3805224-A1	Analysis method of diene compound and production method of ene compound	20191009
US-2021109119-A1	Analysis method of diene compound and production method of ene compound	20191009
WO-2021005619-A1	Improved, cost effective process for synthesis of vitamin d3 and its analogue calcifediol from ergosterol	20190709

PMID	Publication Date	Title	Journal
22441200	20120501	A rapid analytical method for cholecalciferol (vitamin D3) in fortified infant formula, milk and milk powder using Diels-Alder derivatisation and liquid chromatography-tandem mass spectrometric detection	Analytical and bioanalytical chemistry
21896243	20120401	Plasma appearance and disappearance of an oral dose of 25-hydroxyvitamin D2 in healthy adults	The British journal of nutrition
22367242	20120401	Diels-Alder derivatization for sensitive detection and characterization of conjugated linoleic acids using LC/ESI-MS/MS	Analytical and bioanalytical chemistry
22536373	20120101	Vitamin D receptor deficiency and low vitamin D diet stimulate aortic calcification and osteogenic key factor expression in mice	PloS one
21768219	20110901	Quantification of 1α,25-dihydroxy vitamin D by immunoextraction and liquid chromatography-tandem mass spectrometry	Clinical chemistry

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7