Home Other Building Blocks 4-Phenyl-1,2,4-triazoline-3,5-dione

4-Phenyl-1,2,4-triazoline-3,5-dione

CAS No.:
4233-33-4
Catalog Number:
AG00344V
Molecular Formula:
C8H5N3O2
Molecular Weight:
175.1442
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$282
- +
25g
95%
In Stock USA
United States
$1340
- +
Product Description
Catalog Number:
AG00344V
Chemical Name:
4-Phenyl-1,2,4-triazoline-3,5-dione
CAS Number:
4233-33-4
Molecular Formula:
C8H5N3O2
Molecular Weight:
175.1442
MDL Number:
MFCD00003148
IUPAC Name:
4-phenyl-1,2,4-triazole-3,5-dione
InChI:
InChI=1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H
InChI Key:
ISULLEUFOQSBGY-UHFFFAOYSA-N
SMILES:
O=C1N=NC(=O)N1c1ccccc1
EC Number:
224-191-7
NSC Number:
150362
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.147g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Gold catalysis: one-pot alkylideneoxazoline synthesis/Alder-ene reaction. Chemistry, an Asian journal 20120601
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 20120501
Diels-Alder derivatization for sensitive detection and characterization of conjugated linoleic acids using LC/ESI-MS/MS. Analytical and bioanalytical chemistry 20120401
Advances in the synthesis of homochiral (-)-1-azafagomine and (+)-5-epi-1-azafagomine. 1-N-phenyl carboxamide derivatives of both enantiomers of 1-azafagomine: Leads for the synthesis of active α-glycosidase inhibitors. The Journal of organic chemistry 20111202
[4+2] cycloaddition reactions between 1,8-disubstituted cyclooctatetraenes and diazo dienophiles: stereoelectronic effects, anticancer properties and application to the synthesis of 7,8-substituted bicyclo[4.2.0]octa-2,4-dienes. Chemistry (Weinheim an der Bergstrasse, Germany) 20100802
Generation and intermolecular trapping of 1,2-diaza-4-silacyclopentane-3,5-diyls in the denitrogenation of 2,3,5,6-tetraaza-7-silabicyclo[2.2.1]hept-2-ene: an experimental and computational study. The Journal of organic chemistry 20100319
A sensitive LC/MS/MS assay of 25OH vitamin D3 and 25OH vitamin D2 in dried blood spots. Clinica chimica acta; international journal of clinical chemistry 20090501
A fluorous-tagged 'safety catch' linker for preparing heterocycles by ring-closing metathesis. Organic letters 20090219
Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates. Organic & biomolecular chemistry 20080407
Oxa-ene reaction of enols of amides with 4-phenyl-1,2,4-triazoline-3,5-dione. The Journal of organic chemistry 20080104
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis of 5-azacastanospermine, a conformationally restricted azafagomine analogue. Chemistry (Weinheim an der Bergstrasse, Germany) 20010601
Examination of structurally selective derivatization of vitamin D(3) analogues by electrospray mass spectrometry. Journal of mass spectrometry : JMS 20010101
Properties