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101-75-7 molecular structure
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N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline

ChemBase ID: 108075
Molecular Formular: C18H15N3
Molecular Mass: 273.3318
Monoisotopic Mass: 273.1265975
SMILES and InChIs

SMILES:
N(c1ccccc1)c1ccc(cc1)/N=N/c1ccccc1
Canonical SMILES:
c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1
InChI:
InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
InChIKey:
VXLFYNFOITWQPM-UHFFFAOYSA-N

Cite this record

CBID:108075 http://www.chembase.cn/molecule-108075.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline
N-phenyl-4-(2-phenyldiazen-1-yl)aniline
IUPAC Traditional name
N-phenyl-4-[(E)-2-phenyldiazen-1-yl]aniline
N-phenyl-4-(2-phenyldiazen-1-yl)aniline
Synonyms
4-Phenylazodiphenylamine
4-(Phenylazo)diphenylamine
4-Anilinoazobenzene
N-Phenyl-4-phenylazoaniline
4-BENZENEAZODIPHENYLAMINE
N-Phenyl-4-phenylazoaniline
4-(Phenylazo)diphenylamine
4-苯基偶氮二苯胺
CAS Number
101-75-7
EC Number
202-972-3
MDL Number
MFCD00003023
Beilstein Number
749359
PubChem SID
162095068
24853732
24887264
PubChem CID
7575

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7575 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.782839  H Acceptors
H Donor LogD (pH = 5.5) 5.819042 
LogD (pH = 7.4) 5.819065  Log P 5.819065 
Molar Refractivity 88.8632 cm3 Polarizability 32.345295 Å3
Polar Surface Area 36.75 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
80-86°C expand Show data source
87-91 °C expand Show data source
89-91 °C(lit.) expand Show data source
Absorption Wavelength
λmax 411 nm expand Show data source
RTECS
JK0185000 expand Show data source
European Hazard Symbols
X expand Show data source
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
1 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 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-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5N=NC6H4NHC6H5 expand Show data source
Empirical Formula (Hill Notation)
C18H15N3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205990 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 78164 external link
Other Notes
Indicator employed in the assay of Grignard and organolithium reagents1
Sigma Aldrich - 229164 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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