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About This Item
线性分子式:
(CD3)2CHOH
CAS号:
分子量:
66.13
Beilstein:
1699397
MDL號碼:
分類程式碼代碼:
12142201
PubChem物質ID:
NACRES:
NA.21
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同位素純度
99 atom % D
品質等級
化驗
99% (CP)
形狀
liquid
技術
NMR: suitable
折射率
n20/D 1.374 (lit.)
bp
82 °C (lit.)
mp
-90 °C (lit.)
密度
0.86 g/mL at 25 °C
質量偏移
M+6
SMILES 字串
[2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
InChI
1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
InChI 密鑰
KFZMGEQAYNKOFK-WFGJKAKNSA-N
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一般說明
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.
應用
2-Propanol-1,1,1,3,3,3-d6 may be used in the synthesis of isotopomers of isopropylformate.
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訊號詞
Danger
危險聲明
危險分類
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
標靶器官
Central nervous system
儲存類別代碼
3 - Flammable liquids
水污染物質分類（WGK）
WGK 1
閃點（°F）
60.8 °F - closed cup
閃點（°C）
16 °C - closed cup
其他客户在看
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)
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)
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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