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6332-56-5 molecular structure
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3-nitropyridin-2-ol

ChemBase ID: 16354
Molecular Formular: C5H4N2O3
Molecular Mass: 140.09686
Monoisotopic Mass: 140.022192
SMILES and InChIs

SMILES:
c1(c(nccc1)O)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cccnc1O
InChI:
InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
InChIKey:
BOAFCICMVMFLIT-UHFFFAOYSA-N

Cite this record

CBID:16354 http://www.chembase.cn/molecule-16354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-nitropyridin-2-ol
IUPAC Traditional name
3-nitropyridin-2-ol
Synonyms
3-Nitro-2(1H)-pyridone
2-Hydroxy-3-nitropyridine
3-Nitro-2-pyridinol
3-Nitro-2-pyridone
2-Hydroxy-3-nitropyridine
3-nitropyridin-2-ol
3-Nitro-2-pyridinol
3-硝基-2-吡啶酮
3-硝基-2-吡啶醇
2-羟基-3-硝基吡啶
CAS Number
6332-56-5
EC Number
228-709-2
MDL Number
MFCD00006270
Beilstein Number
124474
PubChem SID
24851450
24879858
160979661
PubChem CID
22793

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.557085  H Acceptors
H Donor LogD (pH = 5.5) 0.9860757 
LogD (pH = 7.4) 0.9577286  Log P 0.9864498 
Molar Refractivity 32.516 cm3 Polarizability 12.046298 Å3
Polar Surface Area 76.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
yellow expand Show data source
Melting Point
212 °C (dec.)(lit.) expand Show data source
212°C(dec) expand Show data source
ca 220°C dec. expand Show data source
Storage Warning
IRRITANT, IRRITANT-HARMFUL expand Show data source
RTECS
UU7718000 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
36/37/38-68 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H341-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C5H4N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 190616 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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