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1112-02-3

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  • 2,2,2-Trideuterioaceticacid;Acetic acid-2,2,2-d3;Acetic-d3 acid(6CI,7CI,8CI,9CI);Trideuterioacetic acid;Acetic acid-C,C,C-d3;

    Cas No: 1112-02-3

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1112-02-3 Usage

Uses

ACETIC-2,2,2-D3 ACID is a labeled acetic acid, intended for use as an internal standard for the quantification of Acetic acid by GC- or LC-mass spectrometry.

Check Digit Verification of cas no

The CAS Registry Mumber 1112-02-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,1 and 2 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1112-02:
(6*1)+(5*1)+(4*1)+(3*2)+(2*0)+(1*2)=23
23 % 10 = 3
So 1112-02-3 is a valid CAS Registry Number.
InChI:InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3

1112-02-3 Well-known Company Product Price

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  • Aldrich

  • (487856)  Aceticacid-2,2,2-d3  99 atom % D

  • 1112-02-3

  • 487856-5G

  • 4,345.38CNY

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1112-02-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Acetic acid-2,2,2-d3

1.2 Other means of identification

Product number -
Other names ACETIC ACID-2 2 2-D3

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1112-02-3 SDS

1112-02-3Relevant articles and documents

Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced isomerization quantum yield and cis→ trans tunneling rate

Macoas,Khriachtchev,Pettersson,Fausto,Raesaenen

, p. 1331 - 1338 (2004)

The rotational isomerization of acetic acid was studied in Ar, Kr, and Xe matrices. Using resonant excitation of a number of modes in the 3500-7000 cm-1 region, the light induced trans→cis reaction was promoted. The quantum yields for this process were also measured for various acetic acid isotopologues and matrix materials. For excitation of acetic acid at energies above the predicted isomerization energy barrier, it was found that the measured quantum yields were in average 2%-3%, one order of magnitude smaller that the corresponding values known for formic acid.

Halford, J. O.,Anderson, L. C.

, p. 736 - 740 (1936)

-

Burr

, p. 1481 (1957)

-

Secondary deuterium isotope effects on the acidity of carboxylic acids and phenols

Perrin, Charles L.,Dong, Yanmei

, p. 4490 - 4497 (2008/02/04)

Secondary deuterium isotope effects (IEs) on acidities have been accurately measured by an NMR titration method applicable to a mixture of isotopologues. Deuteration definitely decreases the acidity of carboxylic acids and phenols, by up to 0.031 in the ΔpK per D. For aliphatic acids, the IEs decrease as the site of deuteration becomes more distant from the OH, as expected, but a surprising result is that IEs in both phenol and benzoic acid do not decrease as the site of deuteration moves from ortho to meta to para. The experimental data are supported by ab initio computations, which, however, substantially overestimate the IEs. The discrepancy does not seem to be due to solvation. The IEs originate in isotope-sensitive vibrations whose frequencies and zero-point energies are lowered upon deprotonation. In the simplest case, formate, the key vibration can be recognized as the C-H stretch, which is weakened by delocalization of the oxygen lone pairs. For the aromatic acids, delocalization cannot account for the near constancy of IEs from ortho, meta, and para deuteriums, but the observed IEs are consistent with calculated vibrational frequencies and electron densities. Moreover, the ability of the frequency analysis to account for the IEs is evidence against an inductive origin.

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