392898
2-丙醇-1,1,1,3,3,3-d6
99 atom % D
别名:
异丙基-1,1,1,3,3,3-d6 醇, 异丙醇-1,1,1,3,3,3-d6
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关于此项目
线性分子式:
(CD3)2CHOH
化学文摘社编号:
分子量:
66.13
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1699397
Isotopic purity:
99 atom % D
Assay:
99% (CP)
Mass shift:
M+6
Form:
liquid
InChI
1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
SMILES string
[2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
InChI key
KFZMGEQAYNKOFK-WFGJKAKNSA-N
isotopic purity
99 atom % D
assay
99% (CP)
form
liquid
technique(s)
NMR: suitable
refractive index
n20/D 1.374 (lit.)
bp
82 °C (lit.)
mp
-90 °C (lit.)
density
0.86 g/mL at 25 °C
mass shift
M+6
Quality Level
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General description
2-Propanol-1,1,1,3,3,3-d6 is 2-propanol with the hydrogen atoms on the –CH3 groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone. Studies show that it exists in anti and gauche conformation.
Application
2-Propanol-1,1,1,3,3,3-d6 may be used in the synthesis of isotopomers of isopropylformate.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
60.8 °F - closed cup
flash_point_c
16 °C - closed cup
法规信息
美国出口管控产品
危险化学品
此项目有
Vibrational and rotational spectra, conformations and ab initio calculations of thiocyanatoethene.
Beukes JA, et al.
Journal of Raman Spectroscopy, 26(8-9), 799-812 (1995)
Mass spectrometry in structural and stereochemical problems. CLXXXVIII. Electron impact induced behavior of branched ketones and esters, with special emphasis on hydrogen rearrangements.
Eadon G and Djerassi C.
Journal of the American Chemical Society, 92(10), 3084-3089 (1970)
Conformational analysis and vibrational spectra of isopropyl formate and some deuterated isotopomers.
Rosas RL, et al.
Journal of Raman Spectroscopy, 24(3), 143-165 (1993)
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