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1185235-75-9 molecular structure
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1-[(E)-2-[4-nitro(2H4)phenyl]diazen-1-yl]naphthalen-2-ol

ChemBase ID: 176233
Molecular Formular: C16H11N3O3
Molecular Mass: 293.27684
Monoisotopic Mass: 293.08004123
SMILES and InChIs

SMILES:
c1c(c(c2c(c1)cccc2)/N=N/c1ccc(cc1)[N+](=O)[O-])O
Canonical SMILES:
Oc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2
InChI:
InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
InChIKey:
WOTPFVNWMLFMFW-ISLYRVAYSA-N

Cite this record

CBID:176233 http://www.chembase.cn/molecule-176233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(E)-2-[4-nitro(2H4)phenyl]diazen-1-yl]naphthalen-2-ol
IUPAC Traditional name
1-[(E)-2-[4-nitro(2H4)phenyl]diazen-1-yl]naphthalen-2-ol
Synonyms
1-(4-Nitrophenylazo)-2-naphthol-d4
Britelite Toner RP 9-d4
Label Red-d4
Para Nitraniline Red-d4
Pigment Red Zh-d4
Tolyl Red D-d4
Tertropigment Red PAB-d4
p-Nitraniline Red-d4
Para Red-d4
CAS Number
1185235-75-9
PubChem SID
164232143
PubChem CID
71751467

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P191977 external link Add to cart
PubChem 71751467 external link
Data Source Data ID Price
TRC
P191977 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.3353815  H Acceptors
H Donor LogD (pH = 5.5) 5.0050344 
LogD (pH = 7.4) 5.0049853  Log P 5.005035 
Molar Refractivity 86.1328 cm3 Polarizability 31.557858 Å3
Polar Surface Area 90.77 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
Red Solid expand Show data source
Melting Point
>250°C (dec.) expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Mazzotti, F., et al.: J. Agric. Food Chem., 56, 63 (2008)
  • • Ferrer A., et al.: Anal. Bioanal. Chem., 397, 93 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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