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426229

Sigma-Aldrich

Formic acid-d2

95 wt. % in D2O, 98 atom % D

Synonym(s):

Perdeuterioformic acid

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About This Item

Linear Formula:
DCO2D
CAS Number:
920-42-3
Molecular Weight:
48.04
EC Number:
213-057-3
MDL number:
MFCD00037363
UNSPSC Code:
12352106
PubChem Substance ID:
24866689
NACRES:
NA.12

isotopic purity

98 atom % D

Assay

99% (CP)

concentration

95 wt. % in D2O

technique(s)

NMR: suitable
bio NMR: suitable

refractive index

n20/D 1.369 (lit.)

bp

100.8 °C (lit.)

mp

8.2-8.4 °C (lit.)

density

1.273 g/mL at 25 °C

mass shift

M+2

SMILES string

[2H]OC([2H])=O

InChI

1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD

InChI key

BDAGIHXWWSANSR-PFUFQJKNSA-N

Related Categories

General description

Formic acid-d2 is isotopically labeled formic acid that is used to catalyze isoprene to criegee intermediates. It is used to improve NMR profiling of amino metabolites in biofluids.

Application

Formic acid-d2 is used in the synthesis of N-monodeuteriomethyl-2-substituted piperidines.

Signal Word

Danger

Hazard Statements

H226,H302,H314,H331

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1A

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51 °C - closed cup

Certificates of Analysis (COA)

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G Ottolina et al.
Biochimica et biophysica acta, 998(2), 173-178 (1989-10-05)
The stereospecifically labeled coenzymes [4R-2H]NADH, [4R-2H]NADPH and [4S-2H]NAD(P)H were synthesized enzymatically in high yield and high isotopic purity (greater than or equal to 95%) with 2HCOO2H/formate dehydrogenase, (CH3)2C2HOH/alchol dehydrogenase from Thermoanaerobium brockii and [1-2H]glucose/glucose dehydrogenase, respectively. This set of deuterated

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