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607-24-9 molecular structure
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2-nitronaphthalen-1-ol

ChemBase ID: 81850
Molecular Formular: C10H7NO3
Molecular Mass: 189.16748
Monoisotopic Mass: 189.04259309
SMILES and InChIs

SMILES:
[N+](=O)(c1c(c2ccccc2cc1)O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc2c(c1O)cccc2
InChI:
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H
InChIKey:
MUCCHGOWMZTLHK-UHFFFAOYSA-N

Cite this record

CBID:81850 http://www.chembase.cn/molecule-81850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-nitronaphthalen-1-ol
IUPAC Traditional name
2-nitronaphthalen-1-ol
Synonyms
1-Hydroxy-2-nitronaphthalene
2-Nitro-1-naphthol
2-Nitro-1-naphthol
2-硝基-1-萘酚
CAS Number
607-24-9
EC Number
210-131-7
MDL Number
MFCD00003956
PubChem SID
24849909
162068969
PubChem CID
69083

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.288529  H Acceptors
H Donor LogD (pH = 5.5) 2.534333 
LogD (pH = 7.4) 1.5056164  Log P 2.5991414 
Molar Refractivity 50.8096 cm3 Polarizability 20.295597 Å3
Polar Surface Area 63.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
123-125 °C(lit.) expand Show data source
123-125°C expand Show data source
Storage Warning
Irritant 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
26-37/39 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
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
O2NC10H6OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216359 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 161152 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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