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Molecule
ID:7037
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₃F₄I
Molecular Mass
241.9540028
Exact Mass
241.92156098
Charge
0
InChI
InChI=1S/C3H3F4I/c4-2(5)3(6,7)1-8/h2H,1H2
InChIKey
VOUMUNAZCCDSHT-UHFFFAOYSA-N
Canonic Smiles
ICC(C(F)F)(F)F
Isomeric Smiles
C(I)C(F)(F)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2341573
LogD (pH = 7.4)
2.2341573
Log P
2.2341573
Molar Refractivity
29.0373
Polarizability
11.578128
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
Registration numbers
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MDL Number
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CAS Number
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PubChem SID
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PubChem CID
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
001937
Apollo Scientific
PC6868E
Sigma Aldrich
473812
Academic Data
PubChem
542861
Names and Identifiers
IUPAC Traditional name
1,1,2,2-tetrafluoro-3-iodopropane
IUPAC 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%
2,2,3,3-四氟碘代丙烷
1,1,2,2-Tetrafluoro-3-iodopropane
Registration numbers
MDL Number
MFCD00019033
CAS Number
679-87-8
PubChem SID
160970344
24870935
PubChem CID
542861
Molecule Details
Sigma Aldrich
473812
Packaging
1, 5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Physical Property
Boiling Point
95-97°C
Source
99 °C(lit.)
Source
Refractive Index
1.412
Source
n20/D 1.414(lit.)
Source
Density
2.036
Source
2.117 g/mL at 25 °C(lit.)
Source
Flash Point
none°C
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
TSCA Listed
false
Source
3
Source
Irritant (Xi)
36/37/38
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Warning
Source
H315
-
H319
-
H335
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
26
-
36
Source
P261
-
P305+P351+P338
Source
Product Information
Purity
97%
Source
98%
Source
Linear Formula
ICH2CF2CHF2
Source
Source
Source
German water hazard class
European Hazard Symbols
Risk Statements
Personal Protective Equipment
GHS Signal Word
GHS Hazard statements
GHS Pictograms
Safety Statements
GHS Precautionary statements