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1898-66-4 molecular structure
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2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazin-1-yl

ChemBase ID: 127191
Molecular Formular: C18H12N5O6
Molecular Mass: 394.31778
Monoisotopic Mass: 394.07875813
SMILES and InChIs

SMILES:
c1ccc(cc1)N(c1ccccc1)[N]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc(cc(c1[N]N(c1ccccc1)c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKey:
HHEAADYXPMHMCT-UHFFFAOYSA-N

Cite this record

CBID:127191 http://www.chembase.cn/molecule-127191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazin-1-yl
IUPAC Traditional name
DPPH
Synonyms
2,2-diphenyl-1-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl radical
2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl
Diphenylpicrylhydrazyl
DPPH
DPPH
2,2-Diphenyl-1-picrylhydrazyl
2,2-Diphenyl-1-picrylhydrazyl (free radical)
2,2-联苯基-1-苦基肼基
1,1-二苯基-2-苦肼基自由基
2,2-二苯基-1-苦基肼
2,2-联苯基-1-苦基肼基 (自由基)
CAS Number
1898-66-4
EC Number
217-591-8
MDL Number
MFCD00007231
Beilstein Number
1846081
Merck Index
143330
PubChem SID
162221513
24894254
PubChem CID
2735032
74358
Chemspider ID
2016757
Wikipedia Title
DPPH

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.837699  H Acceptors
H Donor LogD (pH = 5.5) 5.2395 
LogD (pH = 7.4) 5.2395  Log P 5.2395 
Molar Refractivity 113.2135 cm3 Polarizability 37.179214 Å3
Polar Surface Area 141.89 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
alcohol, acetone expand Show data source
insoluble in water expand Show data source
Apperance
Black to green powder, purple in solution expand Show data source
green expand Show data source
Powder expand Show data source
Melting Point
~135 °C (dec.)(lit.) expand Show data source
135°C (decomposes) expand Show data source
Density
1.4 g/cm3 expand Show data source
Absorption Wavelength
λmax 528 nm expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
28-36/37/38 expand Show data source
42/43 expand Show data source
Safety Statements
20-26-28-36/37-45-60 expand Show data source
22-36/37-45 expand Show data source
R expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
0
0
expand Show data source
GHS Hazard statements
H300-H315-H319-H335 expand Show data source
H317-H334 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥85% (CHN) expand Show data source
95% expand Show data source
Grade
technical expand Show data source
Ignition Residue
≤5% expand Show data source
Impurities
<10 ppm benzene expand Show data source
Empirical Formula (Hill Notation)
C18H12N5O6 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D9132 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
自由基
包装
1, 5 g in glass bottle
Sigma Aldrich - 43180 external link
Other Notes
Stable radical; reagent for the quantitative determination of aliphatic thiols by indirect spetrophotometry1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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