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Trifluoroacetic Acid-d

CAT: 0572-TRC-T786037-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T786037-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
599-00-8
Synonyms
Acetic acid-d, 2,2,2-trifluoro-; Acetic acid-d, trifluoro- (6CI,7CI,8CI,9CI); 2,2,2-Trifluoroacetic acid-d; 2,2,2-Trifluoroacetic acid-d1; Deuteriotrifluoroacetic acid; Deuterotrifluoroacetic acid; Trifluoroacetic acid (CF3COOD); Trifluoroacetic acid-carboxy-d; Trifluoroacetic acid-d; Trifluoroacetic acid-d1; [2H]Trifluoroacetic acid
Hazard Statement
May be corrosive to metals; UN number: UN2699; Packing Group: I
Purity
>95% (GC)
Smiles
[2H]OC(=O)C(F)(F)F
Molecular Formula
C2 D F3 O2
Molecular Weight
115.0295
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD
Additionnal Information
IUPAC name: deuterio 2,2,2-trifluoroacetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Trifluoroacetic acid-d

Trifluoroacetic acid-d1 is a fluoroalkanoic acid and a deuterated compound. It has a role as a NMR solvent.

CAS Number599-00-8
PubChem CID71502
IUPAC Namedeuterio 2,2,2-trifluoroacetate
Molecular FormulaC2HF3O2
Molecular Weight115.03
XLogP0.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity83
SMILES
[2H]OC(=O)C(F)(F)F
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD
InChIKey
DTQVDTLACAAQTR-DYCDLGHISA-N
Chemical Structure
2D Structure
2D structure of Trifluoroacetic acid-d
CAS: 599-00-8
CID: 71502
Formula: C2HF3O2
MW: 115.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.03
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass114.99914050
Monoisotopic Mass114.99914050
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity83.4
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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