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460-13-9 molecular structure
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1-fluoropropane

ChemBase ID: 9650
Molecular Formular: C3H7F
Molecular Mass: 62.0860832
Monoisotopic Mass: 62.05317844
SMILES and InChIs

SMILES:
CCCF
Canonical SMILES:
CCCF
InChI:
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3
InChIKey:
JRHNUZCXXOTJCA-UHFFFAOYSA-N

Cite this record

CBID:9650 http://www.chembase.cn/molecule-9650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoropropane
IUPAC Traditional name
1-fluoropropane
Synonyms
1-Fluoropropane
Propyl fluoride 98%
1-Fluoropropane
CAS Number
460-13-9
MDL Number
MFCD01320734
PubChem SID
160972957
PubChem CID
9998

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9998 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.251845  LogD (pH = 7.4) 1.251845 
Log P 1.251845  Molar Refractivity 15.8418 cm3
Polarizability 5.974419 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
-159°C expand Show data source
Boiling Point
-2.5°C expand Show data source
-3°C expand Show data source
Density
0.781 expand Show data source
Refractive Index
1.3225 expand Show data source
Storage Warning
GAS, FLAMMABLE expand Show data source
Highly Flammable expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC0911 external link
Cylinder - 1/4" NPT connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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