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Sodium Trifluoroacetate-13C2

CAT: 0572-TRC-S673752-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S673752-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794767-05-7
Synonyms
Trifluoroacetic Acid-13C2 Sodium Salt; Sodium Trifluoromethanecarboxylate-13C2; Sodium Trifluoroacetic Acid Salt-13C2
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
O=[13C](O[Na])[13C](F)(F)FO=[13C](O[Na])[13C](F)(F)F
Molecular Formula
13C2F3NaO2
Molecular Weight
137.99
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sodium trifluoro(1,2-13C2)acetate
CAS Number1794767-05-7
PubChem CID71752219
IUPAC Namesodium 2,2,2-trifluoroacetate
Molecular FormulaC2F3NaO2
Molecular Weight137.990
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
[13C](=O)([13C](F)(F)F)[O-].[Na+]
InChI
InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1/i1+1,2+1;
InChIKey
UYCAUPASBSROMS-AWQJXPNKSA-M
Chemical Structure
2D Structure
2D structure of Sodium trifluoro(1,2-13C2)acetate
CAS: 1794767-05-7
CID: 71752219
Formula: C2F3NaO2
MW: 137.990
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.990
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass137.98151768
Monoisotopic Mass137.98151768
Topological Polar Surface Area40.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.8
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

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TRC-S655020-250MGSodium Trifluoroacetate
TRC-S624102-10MGSodium Dichloroacetate-13C2
TRC-S624102-5MGSodium Dichloroacetate-13C2
TRC-S655022-10MGSodium Difluoroacetate-13C2
TRC-S655022-1MGSodium Difluoroacetate-13C2

Alternative Products

CatalogName
HY-W017049SSodium trifluoroacetate-13C2
021001Sodium Trifluoroacetate-13C2 discontinued. See 588181
RG-A260671-01Sodium Trifluoroacetate
466267-01Sodium Dichloroacetate-13C2
HY-W749209-01Sodium acetate-13C2
HY-W769991Lactate (sodium) -13C2
RG-O240117-01Sodium Oxalate-13C2
HY-W017049RSodium trifluoroacetate (Standard)
588181Sodium Trifluoroacetate-13C
GX3440-50gSodium trifluoroacetate, 97+%

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