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852527-60-7 molecular structure
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9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane

ChemBase ID: 140557
Molecular Formular: C9H6F13N3
Molecular Mass: 403.1432816
Monoisotopic Mass: 403.03541407
SMILES and InChIs

SMILES:
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN=[N+]=[N-]
Canonical SMILES:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCCN=[N+]=[N-])F
InChI:
InChI=1S/C9H6F13N3/c10-4(11,2-1-3-24-25-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
InChIKey:
DQEDVGBNEFVPEU-UHFFFAOYSA-N

Cite this record

CBID:140557 http://www.chembase.cn/molecule-140557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
IUPAC Traditional name
9-azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
Synonyms
1H,1H,2H,2H,3H,3H-Perfluorononyl azide
3-(Perfluorohexyl)propyl azide
9-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl azide
1H,1H,2H,2H,3H,3H-全氟壬基叠氮化物
3-(全氟己基)丙基叠氮化物
9-叠氮-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟壬烷
4,4,5,5,6,6,7,7,8,8,9,9,9-十三氟壬基叠氮化物
CAS Number
852527-60-7
MDL Number
MFCD09265209
PubChem SID
24887242
162234801
PubChem CID
11441040

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
77983 external link Add to cart Please log in.
Data Source Data ID
PubChem 11441040 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9946523  LogD (pH = 7.4) 4.9946523 
Log P 5.108698  Molar Refractivity 52.9643 cm3
Polarizability 19.416914 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Refractive Index
n20/D 1.342 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 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% expand Show data source
Empirical Formula (Hill Notation)
C9H6F13N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 77983 external link
Packaging
5, 25 mg in glass bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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