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6792-31-0 molecular structure
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tris(hexafluoroprop-1-ene)

ChemBase ID: 97574
Molecular Formular: C9F18
Molecular Mass: 450.0675576
Monoisotopic Mass: 449.97125796
SMILES and InChIs

SMILES:
FC(C(=C(F)F)F)(F)F.FC(C(=C(F)F)F)(F)F.FC(C(=C(F)F)F)(F)F
Canonical SMILES:
FC(=C(C(F)(F)F)F)F.FC(=C(C(F)(F)F)F)F.FC(=C(C(F)(F)F)F)F
InChI:
InChI=1S/3C3F6/c3*4-1(2(5)6)3(7,8)9
InChIKey:
VJRSWIKVCUMTFK-UHFFFAOYSA-N

Cite this record

CBID:97574 http://www.chembase.cn/molecule-97574.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(hexafluoroprop-1-ene)
IUPAC Traditional name
tris(hexafluoropropylene)
Synonyms
Hexafluoropropene, trimer
Hexafluoropropene trimer 97%
六氟丙烯三聚体
CAS Number
6792-31-0
MDL Number
MFCD00043821
PubChem SID
24863138
162084174
PubChem CID
16212380

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16212380 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8124412  LogD (pH = 7.4) 1.8124412 
Log P 1.8124412  Molar Refractivity 27.8392 cm3
Polarizability 6.0836596 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
110-115 °C(lit.) expand Show data source
110-115°C expand Show data source
Flash Point
24 °C expand Show data source
75.2 °F expand Show data source
none°C expand Show data source
Density
1.83 expand Show data source
1.83 g/mL at 25 °C(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-20/21/22-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-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 1993 3/PG 3 expand Show data source
Linear Formula
[CF3C(F)=CF2]3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC4792 external link
Mixture of perfluoro-2,3,5-trimethylhexene-3,perfluoro-2,3,5-trimethylhexene-2 & perfluoro-2,4,5-trimethylhexene-2
Sigma Aldrich - 371963 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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