Nitron
Basic information
- CAS
101358-16-1- Standard SMILES
c1ccc(N=c2[n-][n+](-c3ccccc3)cn2-c2ccccc2)cc1- InChIKey
CWGBFIRHYJNILV-UHFFFAOYSA-N- Molecular formula
- C20H16N4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13749653
Names & identifiers
- Preferred name
- Nitron
- IUPAC
- N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine
Names & synonyms
Nitron2218-94-290IM4Z883ZNSC 5038EINECS 218-724-2NITRON [MI]1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, hydroxide, inner salt1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner saltNITRON (ANALYTICAL REAGENT)NSC-50384H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt2,3,5,6-Tetraazabicyclo(2.1.1)hex-1-ene, 3,5,6-triphenyl-
Show more names
2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene, 3,5,6-triphenyl-1,4-DIPHENYL-3-(PHENYLAMINO)-4H-1,2,4-TRIAZOLIUM INNER SALTRefChem:8543581,4Diphenyl3(phenylammonio)1H1,2,4triazolium1,4Diphenyl3(phenylamino)1H1,2,4triazolium inner salt1H1,2,4Triazolium, 1,4diphenyl3(phenylamino), inner salt4H1,2,4Triazolium, 1,4diphenyl3(phenylamino), inner salt2,3,5,6Tetraazabicyclo(2.1.1)hex1ene, 3,5,6triphenyl (8CI)
Database identifiers
- CAS
101358-16-1、2218-94-2- PubChem CID
- 720071
- DTXSID
DTXSID5062269- ChEMBL
CHEMBL3729429- UNII
- 90IM4Z883Z
- EC Number
- 218-724-2
- Nikkaji
- J250.405G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 19.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Chemical ClassesDyes -> Other Dyes
Physical DescriptionIntensely yellow solid; [Merck Index] Gold powder; [Alfa Aesar MSDS]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt
Chemical: 2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene, 3,5,6-triphenyl-
1H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Nitroblue tetrazolium.
Chemistry & industry
Uses & manufacturing
UsesUsed in the determination of boron, nitrate, perchlorate, rhenium, tungsten, and molybdenum; [Merck Index]
General Manufacturing Information4H-1,2,4-Triazolium, 1,4-diphenyl-3-(phenylamino)-, inner salt: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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