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2218-94-2

2218-94-2 structural image
Product Name: NITRON
Formula: C20H16N4
Synonyms: 1,4-Diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt;3,5,6-Triphenyl-2,3,5,6-tetraazabicyclo[2.1.1]hex-1-ene;4,5-Dihydro-2,4-diphenyl-5-(phenylimino)-1H-1,2,4-triazolium hydroxide inner salt
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Intensely yellow solid; [Merck Index] Gold powder; [Alfa Aesar MSDS]
Chemical Classes Dyes -> Other Dyes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 312.4 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 312.137496527 g/mol
Monoisotopic Mass 312.137496527 g/mol
Topological Polar Surface Area 19.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 466
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes