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2396-60-3 molecular structure
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(4-methoxyphenyl)(phenyl)diazene

ChemBase ID: 152331
Molecular Formular: C13H12N2O
Molecular Mass: 212.24718
Monoisotopic Mass: 212.09496301
SMILES and InChIs

SMILES:
COc1ccc(cc1)/N=N/c1ccccc1
Canonical SMILES:
COc1ccc(cc1)/N=N/c1ccccc1
InChI:
InChI=1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3
InChIKey:
LGCRPKOHRIXSEG-UHFFFAOYSA-N

Cite this record

CBID:152331 http://www.chembase.cn/molecule-152331.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methoxyphenyl)(phenyl)diazene
IUPAC Traditional name
(4-methoxyphenyl)phenyldiazene
Synonyms
4-Phenylazoanisole
4-Methoxyazobenzene
对苯偶氮苯甲醚
4-甲氧基偶氮苯
CAS Number
2396-60-3
EC Number
219-250-9
MDL Number
MFCD00039804
Beilstein Number
958054
PubChem SID
24883410
162246476
PubChem CID
16966

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16966 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2214613  LogD (pH = 7.4) 4.221468 
Log P 4.2214684  Molar Refractivity 66.8402 cm3
Polarizability 24.08596 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-56 °C expand Show data source
54-56°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C13H12N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 64760 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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