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2,2,2-Trichloroacetyl fluoride

HCID 9629
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
354-13-2
Standard SMILES
O=C(F)C(Cl)(Cl)Cl
InChIKey
LNDJIMKADVTHOS-UHFFFAOYSA-N
Molecular formula
C2Cl3FO
Average molar mass
165.37 g/mol
Monoisotopic mass
163.899876

Names & identifiers

Preferred name
2,2,2-Trichloroacetyl fluoride
IUPAC
2,2,2-trichloroacetyl fluoride
English name
Trichloroacetyl fluoride
Molecular formula
C2Cl3FO
Molecular weight
165.38

Names & synonyms

ACETYL FLUORIDE, TRICHLORO-354-13-2DTXSID801888752,2,2-trichloroacetyl fluorideRefChem:1058942DTXCID40111366Trichloroacetyl fluorideTrichloroacetic fluorideBRN 1754127SCHEMBL997824AKOS006279565trichloro-acetylfluorid
Show more names
trichloroaceticfluoride

Database identifiers

CAS
354-13-2
PubChem CID
9629
DTXSID
DTXSID80188875
Nikkaji
J55.075B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
85.4

Physicochemical properties

Boiling point
66 °C · 66°C
Density
1.6826 · 1.6826 (estimate)
EWG's Food Scores
1 · 1
Risk Statements
14 · 14-34-36/37/38
Safety Statements
3 · 3/7-9-26-36/37/39-45
RIDADR
3265 · 3265

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
risk_code
14-34-36/37/38
safety_code
3/7-9-26-36/37/39-45

Chemistry & industry

Suppliers2 total

ABCR[email protected]
HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

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Compound notes

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