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709-09-1 molecular structure
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1,2-dimethoxy-4-nitrobenzene

ChemBase ID: 82218
Molecular Formular: C8H9NO4
Molecular Mass: 183.16136
Monoisotopic Mass: 183.05315777
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(c(cc1)OC)OC)[O-]
Canonical SMILES:
COc1cc(ccc1OC)[N+](=O)[O-]
InChI:
InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey:
YFWBUVZWCBFSQN-UHFFFAOYSA-N

Cite this record

CBID:82218 http://www.chembase.cn/molecule-82218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxy-4-nitrobenzene
IUPAC Traditional name
1,2-dimethoxy-4-nitrobenzene
Synonyms
4-Nitroveratrole,1,2-Dimethoxy-4-nitrobenzene
3,4-Dimethoxynitrobenzene
4-NITRO-1,2-DIMETHOXYBENZENE
4-Nitroveratrole
4-Nitroveratrole
1,2-Dimethoxy-4-nitrobenzene
1,2-Dimethoxy-4-nitro-benzene
1,2-Dimethoxy-4-nitrobenzene
3,4-Dimethoxynitrobenzene
4-Nitro-1,2-dimethoxybenzene
NSC 10116
NSC 27974
NSC 93382
4-Nitro-veratrole
4-硝基藜芦醚
1,2-二甲氧基-4-硝基苯
CAS Number
709-09-1
EC Number
211-906-2
MDL Number
MFCD00007238
Beilstein Number
1878614
PubChem SID
162069337
24893267
PubChem CID
69728

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5978875  LogD (pH = 7.4) 1.5978875 
Log P 1.5978875  Molar Refractivity 45.3049 cm3
Polarizability 17.303974 Å3 Polar Surface Area 61.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-98 °C(lit.) expand Show data source
95-98°C expand Show data source
95-98°C expand Show data source
Boiling Point
221-223°C/10mm expand Show data source
230 °C/17 mmHg(lit.) expand Show data source
230°C/17mm expand Show data source
Storage Warning
Harmful expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301 expand Show data source
H302 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(CH3O)2C6H3NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05209163 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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