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2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride

HCID 2736386
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Basic information

CAS
6129-62-0
Standard SMILES
O=C(F)C(F)(Br)C(F)(F)F
InChIKey
GHRAJKIIZHDCNR-UHFFFAOYSA-N
Molecular formula
C3BrF5O
Average molar mass
226.93 g/mol
Monoisotopic mass
225.90527

Names & identifiers

Preferred name
2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride
IUPAC
2-bromo-2,3,3,3-tetrafluoropropanoyl fluoride
English name
2-Bromo-2,3,3,3-tetrafluoropropionyl fluoride
Molecular formula
C3BrF5O
Molecular weight
226.93

Names & synonyms

6129-62-02-bromo-2,3,3,3-tetrafluoropropanoyl fluoride2-Bromo-2,3,3,3-tetrafluoropropionyl fluoride2-Bromotetrafluoropropionyl fluoride2,3,3,3-tetrafluoro-2-bromopropionyl fluorideMFCD00153724A833149SCHEMBL4856957DTXSID20371325GHRAJKIIZHDCNR-UHFFFAOYSA-NSBB097065AKOS007930002
Show more names
2-BROMOTETRAFLUOROPROPANOYL FLUORIDE2,3,3,3-tetrafluoro-2-bromopropionylfluoride2-Bromo-2,3,3,3-tetrafluoropropanoylfluoride97%Propanoyl fluoride, 2-bromo-2,3,3,3-tetrafluoro-2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride 97%
2-bromo-2,3,3,3-tetrafluoro-propanoyl fluorideF0042872-bromanyl-2,3,3,3-tetrakis(fluoranyl)propanoyl fluoride

Database identifiers

CAS
6129-62-0
PubChem CID
2736386
DTXSID
DTXSID20371325

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
153

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point
31 °C · 31 °C
Density
1.8 · 1.8000 (rough estimate)
refractive index
1.48 · 1.4800 (estimate)
Hazard Codes
C
Risk Statements
34 · 34
Safety Statements
26 · 26-36/37/39
RIDADR
3265 · 3265
HazardClass
CORROSIVE
HS Code
2915907098 · 2915907098

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

ridadr
3265
hs_code
2915907098
risk_code
34
hazard_code
C
safety_code
26-36/37/39
hazard_class
CORROSIVE

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