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372-46-3 molecular structure
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fluorocyclohexane

ChemBase ID: 8575
Molecular Formular: C6H11F
Molecular Mass: 102.1499432
Monoisotopic Mass: 102.08447857
SMILES and InChIs

SMILES:
C1(F)CCCCC1
Canonical SMILES:
FC1CCCCC1
InChI:
InChI=1S/C6H11F/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:
GOBGVVAHHOUMDK-UHFFFAOYSA-N

Cite this record

CBID:8575 http://www.chembase.cn/molecule-8575.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
fluorocyclohexane
IUPAC Traditional name
cyclohexane, fluoro-
Synonyms
Fluorocyclohexane
Cyclohexyl fluoride
Fluorocyclohexane 97%
Fluorocyclohexane
氟代环己烷
CAS Number
372-46-3
EC Number
206-754-9
MDL Number
MFCD00021285
Beilstein Number
1900795
PubChem SID
160971882
PubChem CID
78988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1717854  LogD (pH = 7.4) 2.1717854 
Log P 2.1717854  Molar Refractivity 27.5834 cm3
Polarizability 10.743926 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)
Melting Point
13°C expand Show data source
Boiling Point
103-105°C expand Show data source
103-105°C expand Show data source
Flash Point
5°C(41°F) expand Show data source
Density
0.928 expand Show data source
Refractive Index
1.4146 expand Show data source
1.4160 expand Show data source
Storage Warning
FLAMMABLE expand Show data source
Irritant expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16-33 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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