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573-56-8 molecular structure
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2,6-dinitrophenol

ChemBase ID: 107683
Molecular Formular: C6H4N2O5
Molecular Mass: 184.10636
Monoisotopic Mass: 184.01202124
SMILES and InChIs

SMILES:
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
InChIKey:
JCRIDWXIBSEOEG-UHFFFAOYSA-N

Cite this record

CBID:107683 http://www.chembase.cn/molecule-107683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dinitrophenol
IUPAC Traditional name
β-dinitro-phenol
2,6-dinitro-phenol
Synonyms
β-Dinitrophenol
2,6-Dinitrophenol
2,6-DINITROPHENOL
β-二硝基苯酚
2,6-二硝基苯酚
CAS Number
573-56-8
EC Number
209-357-9
MDL Number
MFCD00024235
Beilstein Number
1913410
PubChem SID
162088332
24893585
PubChem CID
11312

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11312 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 3.6279056  H Acceptors
H Donor LogD (pH = 5.5) -0.014210541 
LogD (pH = 7.4) -0.29177964  Log P 1.5496489 
Molar Refractivity 42.6883 cm3 Polarizability 14.940602 Å3
Polar Surface Area 111.87 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
61-63 °C(lit.) expand Show data source
Vapor Density
6.35 (vs air) expand Show data source
RTECS
SL2975000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1320 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
Hazard Class
4.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
23/24/25-33-50/53 expand Show data source
Safety Statements
36/37-45-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H301-H311-H330-H373-H400-H411 expand Show data source
GHS Precautionary statements
P210-P260-P273-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 1320 4.1/PG 1 expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤6% 2,4-Dinitrophenol expand Show data source
Contains
20% water expand Show data source
Linear Formula
(O2N)2C6H3OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204581 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D198803 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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