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2314-97-8 molecular structure
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trifluoro(iodo)methane

ChemBase ID: 8652
Molecular Formular: CF3I
Molecular Mass: 195.9103796
Monoisotopic Mass: 195.89968266
SMILES and InChIs

SMILES:
IC(F)(F)F
Canonical SMILES:
FC(I)(F)F
InChI:
InChI=1S/CF3I/c2-1(3,4)5
InChIKey:
VPAYJEUHKVESSD-UHFFFAOYSA-N

Cite this record

CBID:8652 http://www.chembase.cn/molecule-8652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trifluoro(iodo)methane
IUPAC Traditional name
trifluoroiodomethane
Synonyms
Trifluoromethyl iodide
Trifluoromethyl iodide
Iodotrifluoromethane 99%
Trifluoroiodomethane
Iodotrifluoromethane
Monoiodotrifluoromethane
Perfluoromethyl iodide
Freon 13T1
Trifluoroiodomethane
三氟甲基碘
全氟甲基碘
碘代三氟甲烷
三氟碘甲烷
CAS Number
2314-97-8
EC Number
219-014-5
MDL Number
MFCD00001060
Beilstein Number
1732740
PubChem SID
24850061
160971959
PubChem CID
16843
Chemspider ID
15962
Unique Ingredient Identifier
42A379KB0U
Wikipedia Title
Trifluoroiodomethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1758  LogD (pH = 7.4) 2.1758 
Log P 2.1758  Molar Refractivity 19.8487 cm3
Polarizability 8.258384 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)
Solubility
Slightly in water expand Show data source
Apperance
Colorless odorless gas expand Show data source
Gas, Packaged in cylinders expand Show data source
Melting Point
<-78 °C(lit.) expand Show data source
-110 °C expand Show data source
Boiling Point
-22°C expand Show data source
-22.5 °C expand Show data source
-22.5 °C(lit.) expand Show data source
-22.5°C expand Show data source
-22.5°C expand Show data source
Flash Point
None expand Show data source
none°C expand Show data source
Density
2.36 expand Show data source
2.361 expand Show data source
2.5485 g/cm3 at -78.5 °C
2.3608 g/cm3 at -32.5 °C
expand Show data source
Refractive Index
1.3790 expand Show data source
Vapor Pressure
541 kPa expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT, GAS expand Show data source
Light Sensitive expand Show data source
RTECS
PB6975000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1956 expand Show data source
UN1956 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
2 expand Show data source
2.2 expand Show data source
Risk Statements
68 expand Show data source
R68 expand Show data source
Safety Statements
36/37 expand Show data source
S2, S36/37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
EU Index
602-086-00-0 expand Show data source
GHS Pictograms
GHS04 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H280-H341 expand Show data source
H341 expand Show data source
GHS Precautionary statements
P281 expand Show data source
P281-P201-P308+P313-P405-P410+P403-P501A expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1956 2.2 expand Show data source
Purity
≥99.0% (GC) expand Show data source
97+% expand Show data source
99% expand Show data source
99.9% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
CF3I expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC7680 external link
Cylinder - 1/4" NPT connection
Sigma Aldrich - 171441 external link
Application
Reagent used in the rhodium-catalyzed α-trifluoromethylation of α,β-unsaturated ketones.1
Packaging
25, 100 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.
Sigma Aldrich - 91860 external link
Other Notes
Reagent used for the trifluoromethylation of various compounds; e.g. using copper or zinc powder in the presence of various catalysts 1,2
Packaging
Cylinder with net 25 g

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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