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375-01-9 molecular structure
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2,2,3,3,4,4,4-heptafluorobutan-1-ol

ChemBase ID: 6522
Molecular Formular: C4H3F7O
Molecular Mass: 200.0548424
Monoisotopic Mass: 200.00721226
SMILES and InChIs

SMILES:
C(O)C(C(C(F)(F)F)(F)F)(F)F
Canonical SMILES:
OCC(C(C(F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKey:
WXJFKAZDSQLPBX-UHFFFAOYSA-N

Cite this record

CBID:6522 http://www.chembase.cn/molecule-6522.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,4-heptafluorobutan-1-ol
IUPAC Traditional name
2,2,3,3,4,4,4-heptafluorobutan-1-ol
Synonyms
2,2,3,3,4,4,4-Heptafluoro-1-butanol
Perfluoropropyl carbinol
2,2,3,3,4,4,4-Heptafluoro-1-butanol
2,2,3,3,4,4,4-Heptafluorobutan-1-ol
(Perfluoropropyl)methanol
1H,1H-Heptafluorobutan-1-ol 98%
PERFLUORO-1,1-DIHYDROBUTANOL
全氟丁醇
2,2,3,3,4,4,4-七氟-1-丁醇
CAS Number
375-01-9
EC Number
206-782-1
MDL Number
MFCD00004674
Beilstein Number
1761907
PubChem SID
160969829
24873908
24895467
PubChem CID
9776

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.614922  H Acceptors
H Donor LogD (pH = 5.5) 1.8378046 
LogD (pH = 7.4) 1.8378019  Log P 1.8378046 
Molar Refractivity 23.0474 cm3 Polarizability 8.840368 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
95-97°C expand Show data source
95-97°C expand Show data source
96-97 °C(lit.) expand Show data source
96-97°C expand Show data source
Flash Point
25 °C expand Show data source
25°C expand Show data source
25°C(77°F) expand Show data source
77 °F expand Show data source
Density
1.596 expand Show data source
1.6 g/mL at 25 °C(lit.) expand Show data source
1.600 expand Show data source
Refractive Index
1.300 expand Show data source
1.3000 expand Show data source
n20/D 1.3(lit.) expand Show data source
Storage Warning
Flammable/Harmful/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
RTECS
EL4130000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1987 expand Show data source
UN1987 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-20-36/37/38 expand Show data source
10-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
23-26-36/37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
H226-H332-H315-H319-H335-H303 expand Show data source
GHS Precautionary statements
P260-P280H-P305+P351+P338 expand Show data source
P261-P305 + P351 + P338 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 1987 3/PG 3 expand Show data source
Purity
≥95.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤1% water expand Show data source
Linear Formula
CF3CF2CF2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05213013 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - PC4390 external link
Intermediate for speciality coating systems; acrylate and methacrylate esters are available.
Sigma Aldrich - H1604 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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