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2101-87-3 molecular structure
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1-azido-4-methoxybenzene

ChemBase ID: 143128
Molecular Formular: C7H7N3O
Molecular Mass: 149.14998
Monoisotopic Mass: 149.05891186
SMILES and InChIs

SMILES:
COc1ccc(cc1)N=[N+]=[N-]
Canonical SMILES:
COc1ccc(cc1)N=[N+]=[N-]
InChI:
InChI=1S/C7H7N3O/c1-11-7-4-2-6(3-5-7)9-10-8/h2-5H,1H3
InChIKey:
PPKDSHDYUBDVKL-UHFFFAOYSA-N

Cite this record

CBID:143128 http://www.chembase.cn/molecule-143128.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azido-4-methoxybenzene
IUPAC Traditional name
1-azido-4-methoxybenzene
Synonyms
1-Azido-4-methoxybenzene solution
4-Methoxyphenyl azide solution
4-Azidoanisole solution
1-azido-4-methoxybenzene
4-叠氮苯甲醚 溶液
1-叠氮-4-茴香醚 溶液
4-甲氧苯基叠氮化物 溶液
CAS Number
2101-87-3
MDL Number
MFCD00869579
Beilstein Number
3609304
PubChem SID
162237350
PubChem CID
75004

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75004 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1218984  LogD (pH = 7.4) 2.1218984 
Log P 2.235944  Molar Refractivity 42.8088 cm3
Polarizability 15.088971 Å3 Polar Surface Area 38.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
-22 °F expand Show data source
-30 °C expand Show data source
Hydrophobicity(logP)
2.64 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
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
11-38-43 expand Show data source
Safety Statements
16-36/37 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H317 expand Show data source
GHS Precautionary statements
P210-P280 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥90.0% (HPLC) expand Show data source
95% expand Show data source
Concentration
~0.5 M in tert-butyl methyl ether expand Show data source
Impurities
≤2.0% water expand Show data source
Empirical Formula (Hill Notation)
C7H7N3O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 727431 external link
Packaging
10, 50 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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