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6253-10-7 molecular structure
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4-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}phenol

ChemBase ID: 145448
Molecular Formular: C22H16N4O
Molecular Mass: 352.38864
Monoisotopic Mass: 352.13241115
SMILES and InChIs

SMILES:
c1ccc(cc1)/N=N/c1ccc(c2c1cccc2)/N=N/c1ccc(cc1)O
Canonical SMILES:
Oc1ccc(cc1)/N=N/c1ccc(c2c1cccc2)/N=N/c1ccccc1
InChI:
InChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H
InChIKey:
FWTBRYBHCBCJEQ-UHFFFAOYSA-N

Cite this record

CBID:145448 http://www.chembase.cn/molecule-145448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}phenol
IUPAC Traditional name
4-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}phenol
Synonyms
4-[4-(Phenylazo)-1-naphthylazo]phenol
Disperse Orange 13
CAS Number
6253-10-7
EC Number
228-381-0
MDL Number
MFCD00003909
PubChem SID
24862456
162239654
24852727
PubChem CID
5360146
Color Index Number
26080

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5360146 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.908838  H Acceptors
H Donor LogD (pH = 5.5) 7.4692583 
LogD (pH = 7.4) 7.354578  Log P 7.4709444 
Molar Refractivity 113.1271 cm3 Polarizability 40.96501 Å3
Polar Surface Area 69.67 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
149-153 °C(lit.) expand Show data source
Absorption Wavelength
λmax 427 nm 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
Compostion
Dye content, 15% expand Show data source
Dye content, 90% expand Show data source
Linear Formula
C6H5N=NC10H6N=NC6H4OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 212296 external link
Packaging
500 g in glass bottle
Sigma Aldrich - 364800 external link
Features and Benefits
Nonlinear optics
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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