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679-87-8 molecular structure
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1,1,2,2-tetrafluoro-3-iodopropane

ChemBase ID: 7037
Molecular Formular: C3H3F4I
Molecular Mass: 241.9540028
Monoisotopic Mass: 241.92156098
SMILES and InChIs

SMILES:
C(I)C(F)(F)C(F)F
Canonical SMILES:
ICC(C(F)F)(F)F
InChI:
InChI=1S/C3H3F4I/c4-2(5)3(6,7)1-8/h2H,1H2
InChIKey:
VOUMUNAZCCDSHT-UHFFFAOYSA-N

Cite this record

CBID:7037 http://www.chembase.cn/molecule-7037.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2-tetrafluoro-3-iodopropane
IUPAC Traditional name
1,1,2,2-tetrafluoro-3-iodopropane
Synonyms
1-Iodo-2,2,3,3-tetrafluoropropane
2,2,3,3-Tetrafluoropropyl iodide
3-Iodo-1,1,2,2-tetrafluoropropane 98%
1,1,2,2-Tetrafluoro-3-iodopropane
2,2,3,3-四氟碘代丙烷
CAS Number
679-87-8
MDL Number
MFCD00019033
PubChem SID
160970344
24870935
PubChem CID
542861

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 542861 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2341573  LogD (pH = 7.4) 2.2341573 
Log P 2.2341573  Molar Refractivity 29.0373 cm3
Polarizability 11.578128 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
95-97°C expand Show data source
99 °C(lit.) expand Show data source
Flash Point
none°C expand Show data source
Density
2.036 expand Show data source
2.117 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.412 expand Show data source
n20/D 1.414(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false 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% expand Show data source
98% expand Show data source
Linear Formula
ICH2CF2CHF2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 473812 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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