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334-68-9 molecular structure
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1-fluorododecane

ChemBase ID: 8875
Molecular Formular: C12H25F
Molecular Mass: 188.3253032
Monoisotopic Mass: 188.19402902
SMILES and InChIs

SMILES:
C(F)CCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCF
InChI:
InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey:
YHYBNVZCQIDLSQ-UHFFFAOYSA-N

Cite this record

CBID:8875 http://www.chembase.cn/molecule-8875.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluorododecane
IUPAC Traditional name
1-fluorododecane
Synonyms
1-Fluorododecane 97%
1-Fluorododecane
n-Dodecyl fluoride
1-Fluorododecane
正十二烷基氟化物
1-氟十二烷
CAS Number
334-68-9
EC Number
206-381-1
MDL Number
MFCD00013580
PubChem SID
160972182
24878349
PubChem CID
9548

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9548 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.252963  LogD (pH = 7.4) 5.252963 
Log P 5.252963  Molar Refractivity 57.2508 cm3
Polarizability 22.510983 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
225-227°C expand Show data source
Flash Point
106 °C expand Show data source
222.8 °F expand Show data source
Density
0.807 g/mL at 25 °C(lit.) expand Show data source
0.837 expand Show data source
Refractive Index
1.420 expand Show data source
1.42195 expand Show data source
n20/D 1.42(lit.) expand Show data source
Storage Warning
Flammable expand Show data source
RTECS
JR2500000 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2810 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
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
28 expand Show data source
Safety Statements
28-36/37-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H413 expand Show data source
GHS Precautionary statements
P264-P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 2 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
F(CH2)11CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 538647 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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