4-Bromo-3,3,4,4-tetrafluorobutan-1-ol

HCID 2736369

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Basic information

CAS: 234443-21-1
Standard SMILES: OCCC(F)(F)C(F)(F)Br
InChIKey: RTTCOQHNKANLOS-UHFFFAOYSA-N
Molecular formula: C4H5BrF4O
Average molar mass: 224.98 g/mol
Monoisotopic mass: 223.94598976

Names & identifiers

Preferred name: 4-Bromo-3,3,4,4-tetrafluorobutan-1-ol
IUPAC: 4-bromo-3,3,4,4-tetrafluorobutan-1-ol
English name: 4-Bromo-3,3,4,4-tetrafluorobutan-1-ol
Molecular formula: C4H5BrF4O
Molecular weight: 224.98

Names & synonyms

234443-21-14-bromo-3,3,4,4-tetrafluorobutan-1-olDTXSID90371312RefChem:1070398DTXCID103223464-Bromo-3,3,4,4-tetrafluoro-1-butanol1-Butanol, 4-bromo-3,3,4,4-tetrafluoro-MFCD00077467C4H5BrF4O4-bromo-3,3,4,4-tetrafluoro-butan-1-ol4-Bromo-1H,1H,2H,2H-perfluorobutan-1-olSCHEMBL246920

Show more names

4-BROMO-3,3,4,4-TETRAFLUORO-1-4-Bromo-3,3,4,4-tetrafluorobutan-1-ol N4-Bromo-3,3,4,4-tetrafluorobutan-1-ol97%4-Bromo-3,3,4,4-tetrafluorobutan-1-ol 97%

SCHEMBL42414804-Bromo-3,3,4,4-tetrafLFD2046SBB0967494-bromo-3,3,4,4-tetrafluorobutanolAKOS007929963AS-48921DA-23139

Database identifiers

CAS: 234443-21-1
PubChem CID: 2736369
DTXSID: DTXSID90371312

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 70 °C · 70°C 30mm
Density: 1.769 · 1.769±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 14.29 · 14.29±0.10(Predicted)
form: liquid
color: Clear, colourless
InChI: InChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
InChIKey: RTTCOQHNKANLOS-UHFFFAOYSA-N
SMILES: C(O)CC(F)(F)C(Br)(F)F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2905599890 · 2905599890

Safety & regulation

Safety data

hs_code: 2905599890
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Bromo-3,3,4,4-tetrafluorobutan-1-ol is used for the synthesis of fluorosulfonates, which are used as chemically scaled-up resist materials suitable for microfabrication techniques, particularly for lithography in steps such as the production of semiconductor devices.