2,2,3,4,4,4-Hexafluorobutan-1-ol

HCID 533990
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Basic information

CAS
382-31-0
Standard SMILES
OCC(F)(F)C(F)C(F)(F)F
InChIKey
LVFXLZRISXUAIL-UHFFFAOYSA-N
Molecular formula
C4H4F6O
Average molar mass
182.06 g/mol
Monoisotopic mass
182.01663407

Names & identifiers

Preferred name
2,2,3,4,4,4-Hexafluorobutan-1-ol
IUPAC
2,2,3,4,4,4-hexafluorobutan-1-ol
English name
2,2,3,4,4,4-HEXAFLUORO-1-BUTANOL
Molecular formula
C4H4F6O
Molecular weight
182.06

Names & synonyms

2,2,3,4,4,4-Hexafluorobutan-1-ol2,2,3,4,4,4-Hexafluoro-1-butanolEINECS 206-842-7RefChem:440644206-842-7382-31-02,2,3,4,4,4-Hexafluorobutanol1H,1H,3H-Hexafluorobutanol1-Butanol, 2,2,3,4,4,4-hexafluoro-1H,1H,3H-PerfluorobutanolMFCD000423092,2,3,4,4,4-Hexafluorobutanol-1
Show more names
Hexafluorobutanoluoro-1-butanoLHEXAFLUORO-1-BUTANOLHexafluorobutanol (HFB)1H,1H,3H-PerfluoroButan-1-ol
AKOS006222982CS-W017134BS-169802,2,3,4,4,4-hexafluoro-butan-1-olAMY6761CF3CFHCF2CH2OHSCHEMBL18822SCHEMBL21787

Database identifiers

CAS
382-31-0
PubChem CID
533990
DTXSID
DTXSID00870523
ChEMBL
CHEMBL4526528
EC Number
206-842-7
Nikkaji
J25.056B

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

PFAS · 3 items

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physicochemical properties

Melting point
68 °C · 68°C
Boiling point
114 °C/740 · 114 °C/740 mmHg (lit.)
Density
1.557 g/mL · 1.557 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.312(lit.)
Flash point
125 °F · 125 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (13%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (13%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1987 3/PG 3
hs_code
29055900
risk_code
20/22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications · 1 item

Uses2,2,3,4,4,4-Hexafluoro-1-butanol may be used in the preparation of fluorinated cationic guar gum (FCGG)., It may be employed as solvent to evaluate the dynamic nuclear polarization (DNP) parameters for the solutions of free radicals Galvinoxyl (GALV) and α,γ-bisdiphenylene-β-phenyl allyl complex with benzene (1:1) (BDPA).

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

Related reactions

22 records
New reaction record

Compound notes

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