Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:9341
Structure
Similarity
Functional Group
Text
General Information
Structure
Loading...
Molecular Formula
C₈HF₁₇
Molecular Mass
420.0663944
Exact Mass
419.98067977
Charge
0
InChI
InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
InChIKey
KBHBUUBXEQUIMV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
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
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.796813
LogD (pH = 7.4)
5.796813
Log P
5.796813
Molar Refractivity
39.9875
Polarizability
16.091858
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
Properties
•
Physical Property
•
Product Information
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC6140B
Matrix Scientific
005550
Sigma Aldrich
452858
Academic Data
PubChem
101652
Names and Identifiers
IUPAC Traditional name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
IUPAC name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
Synonyms
1H-Perfluorooctane
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane
1H-Perfluorooctane
1H-全氟辛烷
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟辛烷
1H-Perfluorooctane 98%
Registration numbers
MDL Number
MFCD00042109
CAS Number
335-65-9
PubChem CID
101652
PubChem SID
160972648
24868731
Beilstein Number
1716856
EC Number
206-395-8
Properties
Physical Property
Boiling Point
110-112°C
Source
118 °C(lit.)
Source
Flash Point
113°C
Source
113 °C
Source
235.4 °F
Source
Refractive Index
1.3000
Source
n20/D 1.300(lit.)
Source
Density
1.758
Source
1.758 g/mL at 25 °C(lit.)
Source
Product Information
Purity
98%
Source
99%
Source
Linear Formula
CF3(CF2)7H
Source
Safety Information
Storage Warning
IRRITANT
Source
Irritant
Source
MSDS Link
Download link
Source
Download link
Source
TSCA Listed
false
Source
Risk Statements
36/37/38
Source
German water hazard class
3
Source
GHS Pictograms
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
Source
European Hazard Symbols
Irritant (Xi)
Source
Safety Statements
26
-
37/39
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Molecule Details
Apollo Scientific
PC6140B
R. N. Haszeldine, J. Chem. Soc., 1953, 3761.
Sigma Aldrich
452858
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
PubChem CID
•
PubChem SID
•
Beilstein Number
•
EC Number
Irritant (Xi)