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60-09-3 molecular structure
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4-(2-phenyldiazen-1-yl)aniline

ChemBase ID: 21910
Molecular Formular: C12H11N3
Molecular Mass: 197.23584
Monoisotopic Mass: 197.09529737
SMILES and InChIs

SMILES:
N(=N\c1ccccc1)/c1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)/N=N/c1ccccc1
InChI:
InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2/b15-14+
InChIKey:
QPQKUYVSJWQSDY-CCEZHUSRSA-N

Cite this record

CBID:21910 http://www.chembase.cn/molecule-21910.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-phenyldiazen-1-yl)aniline
4-[(E)-2-phenyldiazen-1-yl]aniline
IUPAC Traditional name
4-(phenylazo)aniline
4-aminoazobenzene
aniline yellow
Synonyms
p-AMINOAZOBENZENE
(E)-4-(phenyldiazenyl)aniline
4-Aminoazobenzene
4-(Phenyldiazenyl)aniline
4-[(E)-2-Phenyldiazenyl]aniline
para-aminoazobenzene
4-phenylazoaniline
AAB
Brasilazina oil Yellow G
Ceres Yellow
Fast spirit Yellow
Induline R
Oil Yellow AAB
Oil Yellow AN
Oil Yellow B
Oil Yellow 2G
Oil Yellow R
Organol Yellow
Organol Yellow 2A
Solvent Yellow
Somalia Yellow 2G
Stearix Brown 4R
Sudan Yellow R
Sudan Yellow RA
C.I. 11000
Aniline Yellow
ANILINE YELLOW, ALCOHOL SOLUBLE
p-Phenylazoaniline
4-[phenyldiazenyl]aniline
4-苯基偶氮苯胺
4-氨基偶氮苯
CAS Number
60-09-3
EC Number
200-453-6
MDL Number
MFCD00007854
Beilstein Number
1913042
PubChem SID
160985217
24869842
24851216
PubChem CID
6051
CHEBI ID
233869
CHEMBL
83761
Chemspider ID
5828
KEGG ID
C19187
Wikipedia Title
Aniline_Yellow
Color Index Number
11000

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5486436  LogD (pH = 7.4) 3.5501938 
Log P 3.5502136  Molar Refractivity 65.0774 cm3
Polarizability 22.716467 Å3 Polar Surface Area 50.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
122 - 124°C expand Show data source
123-126 °C expand Show data source
123-126 °C(lit.) expand Show data source
128°C expand Show data source
Boiling Point
> 360 °C expand Show data source
>360 °C(lit.) expand Show data source
Absorption Wavelength
λmax 386 nm expand Show data source
Hydrophobicity(logP)
3.353 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
RTECS
BY8225000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
45-50/53 expand Show data source
R:45-50/53 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
S:45-53-60-61 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Highly toxic
Cancer suspect agent
expand Show data source
NFPA704
NFPA 704 diagram
2
0
1
expand Show data source
GHS Hazard statements
H350-H410 expand Show data source
GHS Precautionary statements
P201-P273-P308 + P313-P501 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type N95 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C6H5N=NC6H4NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05203477 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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