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1081-15-8 molecular structure
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1-(2,4-dinitrophenyl)-2-methylidenehydrazine

ChemBase ID: 156661
Molecular Formular: C7H6N4O4
Molecular Mass: 210.14694
Monoisotopic Mass: 210.03890469
SMILES and InChIs

SMILES:
C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2
InChIKey:
UEQLSLWCHGLSML-UHFFFAOYSA-N

Cite this record

CBID:156661 http://www.chembase.cn/molecule-156661.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,4-dinitrophenyl)-2-methylidenehydrazine
IUPAC Traditional name
1-(2,4-dinitrophenyl)-2-methylidenehydrazine
Synonyms
Formaldehyde-2,4-dinitrophenylhydrazone
Formaldehyde-2,4-dinitrophenylhydrazone
Formaldehyde-2,4-DNPH
甲醛-2,4-二硝基苯腙
甲醛-2,4-二硝基苯腙
甲醛-2,4-DNPH
CAS Number
1081-15-8
MDL Number
MFCD00191364
Beilstein Number
750330
PubChem SID
162250798
24866874
24892228
24867923
PubChem CID
70655

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70655 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.653486  H Acceptors
H Donor LogD (pH = 5.5) 2.1681166 
LogD (pH = 7.4) 2.1750479  Log P 2.1778576 
Molar Refractivity 52.6941 cm3 Polarizability 17.973467 Å3
Polar Surface Area 116.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
153-156 °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
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
Storage Temperature
2-8°C expand Show data source
Purity
99% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
BCR® certified Reference Material expand Show data source
Packaging
ampule of 100 mg expand Show data source
Feature
standard type calibration expand Show data source
Linear Formula
H2C=NNHC6H3(NO2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - BCR546 external link
Legal Information
BCR is a registered trademark of European Commission
Sigma Aldrich - 429627 external link
Packaging
20 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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