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2348-19-8 molecular structure
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1-(2,4-dinitrophenyl)-2-nonylidenehydrazine

ChemBase ID: 112166
Molecular Formular: C15H22N4O4
Molecular Mass: 322.35958
Monoisotopic Mass: 322.1641052
SMILES and InChIs

SMILES:
CCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
CCCCCCCC/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C15H22N4O4/c1-2-3-4-5-6-7-8-11-16-17-14-10-9-13(18(20)21)12-15(14)19(22)23/h9-12,17H,2-8H2,1H3
InChIKey:
STBNOHBRCCXRIK-UHFFFAOYSA-N

Cite this record

CBID:112166 http://www.chembase.cn/molecule-112166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,4-dinitrophenyl)-2-nonylidenehydrazine
IUPAC Traditional name
1-(2,4-dinitrophenyl)-2-nonylidenehydrazine
Synonyms
PELARGONALDEHYDE
Nonyl aldehyde-2,4-DNPH
Pelargonaldehyde-2,4-DNPH
Nonanal 2,4-dinitrophenylhydrazone
壬醛-2,4-DNPH
天竺葵醛-2,4-DNPH
壬醛2,4-二硝基苯腙
CAS Number
2348-19-8
MDL Number
MFCD00050448
PubChem SID
162097520
PubChem CID
9569603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9569603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.065478  H Acceptors
H Donor LogD (pH = 5.5) 5.582062 
LogD (pH = 7.4) 5.614142  Log P 5.630819 
Molar Refractivity 90.3383 cm3 Polarizability 32.538235 Å3
Polar Surface Area 116.03 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
99-103 °C 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 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
≥98.5% (HPLC/CHN) expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
Certificate of Analysis
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Feature
standard type calibration expand Show data source
Linear Formula
CH3(CH2)7CH=NNHC6H3(NO2)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222800 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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