Home > Compound List > Compound details
3296-04-6 molecular structure
click picture or here to close

1-azido-2-fluorobenzene

ChemBase ID: 143483
Molecular Formular: C6H4FN3
Molecular Mass: 137.1144632
Monoisotopic Mass: 137.03892536
SMILES and InChIs

SMILES:
c1ccc(c(c1)N=[N+]=[N-])F
Canonical SMILES:
[N-]=[N+]=Nc1ccccc1F
InChI:
InChI=1S/C6H4FN3/c7-5-3-1-2-4-6(5)9-10-8/h1-4H
InChIKey:
YOBOIKMFTLTNTR-UHFFFAOYSA-N

Cite this record

CBID:143483 http://www.chembase.cn/molecule-143483.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-azido-2-fluorobenzene
IUPAC Traditional name
1-azido-2-fluorobenzene
Synonyms
2-Fluorophenyl azide solution
1-Azido-2-fluorobenzene solution
1-azido-2-fluorobenzene
CAS Number
3296-04-6
MDL Number
MFCD09383886
Beilstein Number
2501863
PubChem SID
162237702
PubChem CID
11607924

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11607924 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4222717  LogD (pH = 7.4) 2.4222717 
Log P 2.5363173  Molar Refractivity 36.562 cm3
Polarizability 12.294322 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
-27.4 °F expand Show data source
-33 °C expand Show data source
Hydrophobicity(logP)
2.952 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
11-38-48/23/24/25 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H372 expand Show data source
GHS Precautionary statements
P210-P305 + P351 + P338-P314 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% (GC) 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)
C6H4FN3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 778842 external link
Packaging
10, 50 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle