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615080

Sigma-Aldrich

2-Propanol-OD

98 atom % D

Synonym(s):

2-Propan(ol-d), Isopropanol-OD, Isopropyl alcoh(ol-d)

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About This Item

Linear Formula:
(CH3)2CHOD
CAS Number:
3979-51-9
Molecular Weight:
61.10
EC Number:
223-616-3
MDL number:
MFCD00044422
UNSPSC Code:
12142201
PubChem Substance ID:
24882148
NACRES:
NA.12

isotopic purity

98 atom % D

Assay

99% (CP)

refractive index

n20/D 1.3752 (lit.)

bp

82 °C (lit.)

mp

-90 °C (lit.)

density

0.798 g/mL at 25 °C (lit.)

mass shift

M+1

SMILES string

[2H]OC(C)C

InChI

1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D

InChI key

KFZMGEQAYNKOFK-QYKNYGDISA-N

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General description

2-Propanol-OD, isotopically labeled analogue of 2-propanol.

Application

2-Propanol- OD is used as a solvent to study the reaction mechanism of benzophenone and/or acetone ketyl radicals with tirapazamine, which is used to examined the exact mechanism of DNA damage and repair. Also, it is used to monitor the solvation of carbene compounds from dynamic study.
2-Propanol-OD can be used as a solvent in the study of:
  • Solvation time (dynamics) of singlet carbene compounds.
  • Reaction mechanism of benzophenone and/or acetone ketyl radicals with tirapazamine.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

53.6 °F - closed cup

Flash Point(C)

12.0 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The dynamics of carbene solvation: an ultrafast study of p-biphenylyltrifluoromethylcarbene
Wang J, et al.
Journal of the American Chemical Society, 130(7), 2304-2313 (2008)
Jin Wang et al.
Journal of the American Chemical Society, 130(7), 2304-2313 (2008-01-25)
Ultrafast photolysis (lambda(ex) = 308 nm) of p-biphenylyltrifluoromethyl diazomethane (BpCN2CF3) releases singlet p-biphenylyltrifluoromethylcarbene (BpCCF3) which absorbs strongly at 385 nm in cyclohexane, immediately after the 300 fs laser pulse. The initial absorption maximum shifts to longer wavelengths in coordinating solvents
Xiaofeng Shi et al.
Journal of the American Chemical Society, 129(15), 4542-4550 (2007-03-27)
Ketyl radicals produced by photolysis of ketones or di-tert-butyl peroxide (DTBP) in alcohol solvents react rapidly with tirapazamine (TPZ). The acetone ketyl radical (ACOH) reacts with TPZ with an absolute second-order rate constant of (9.7 +/- 0.4) x 108 M-1
On the mechanism of reaction of radicals with tirapazamine
Shi X, et al.
Journal of the American Chemical Society, 129(15), 4542-4550 (2007)

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