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5085-07-4 molecular structure
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1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine

ChemBase ID: 146224
Molecular Formular: C17H16N8O8
Molecular Mass: 460.35774
Monoisotopic Mass: 460.10910951
SMILES and InChIs

SMILES:
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N/N=C/CCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc(ccc1N/N=C/CCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C17H16N8O8/c26-22(27)12-4-6-14(16(10-12)24(30)31)20-18-8-2-1-3-9-19-21-15-7-5-13(23(28)29)11-17(15)25(32)33/h4-11,20-21H,1-3H2
InChIKey:
QAUJHIMXYLFORD-UHFFFAOYSA-N

Cite this record

CBID:146224 http://www.chembase.cn/molecule-146224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine
IUPAC Traditional name
1-(2,4-dinitrophenyl)-2-{5-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]pentylidene}hydrazine
Synonyms
Glutaraldehyde bis(2,4-dinitrophenylhydrazone)
Glutaraldehyde 2,4-dinitrophenylhydrazone
Glutaraldehyde bis(2,4-dinitrophenylhydrazone)
戊二醛双(2,4-二硝基苯腙)
戊二醛2,4-二硝基苯腙
戊二醛双(2,4-二硝基苯腙)
CAS Number
5085-07-4
MDL Number
MFCD00209588
PubChem SID
162240423
24866969
24892231
PubChem CID
9659690

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9659690 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.750641  H Acceptors 12 
H Donor LogD (pH = 5.5) 5.000025 
LogD (pH = 7.4) 5.012384  Log P 5.018519 
Molar Refractivity 119.0614 cm3 Polarizability 40.676853 Å3
Polar Surface Area 232.06 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
196-197 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
BCR® certified Reference Material expand Show data source
Linear Formula
CH2[CH2CH=NNHC6H3(NO2)2]2 expand Show data source
Empirical Formula (Hill Notation)
C17H16N8O8 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 431125 external link
Packaging
20 mg in glass bottle
Sigma Aldrich - BCR550 external link
Legal Information
BCR is a registered trademark of European Commission

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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