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52447-23-1 molecular structure
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heptadecafluorononanoyl chloride

ChemBase ID: 8779
Molecular Formular: C9ClF17O
Molecular Mass: 482.5215544
Monoisotopic Mass: 481.93662204
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Canonical SMILES:
ClC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
InChIKey:
MPWXHQITWLFMQM-UHFFFAOYSA-N

Cite this record

CBID:8779 http://www.chembase.cn/molecule-8779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
heptadecafluorononanoyl chloride
IUPAC Traditional name
heptadecafluorononanoyl chloride
Synonyms
Perfluorononanoyl chloride
Perfluorononanoyl chloride 98%
Perfluorononanoyl chloride
Heptadecafluorononanoyl chloride
全氟壬酰氯
十七氟壬酰氯
CAS Number
52447-23-1
MDL Number
MFCD00153255
PubChem SID
24877586
160972086
PubChem CID
2776252

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.346812  LogD (pH = 7.4) 6.346812 
Log P 6.346812  Molar Refractivity 50.1884 cm3
Polarizability 19.924643 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
69-70°C/47mm expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
CORROSIVE expand Show data source
Corrosive expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
≥98.0% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C9ClF17O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 52846 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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