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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water soluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

426229-5G:4548173149066
426229-BULK:
426229-1G-PW:
426229-VAR:
426229-5G-PW:
426229-1G:4548173149059

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD2452
MBBD2204
MBBC8690
MBBC4728
MBBC4489

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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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