所有图片(1)
别名:
异丙基-1,1,1,3,3,3-d6 醇, 异丙醇-1,1,1,3,3,3-d6
线性分子式:
(CD3)2CHOH
CAS号:
分子量:
66.13
Beilstein:
1699397
MDL编号:
UNSPSC代码:
12142201
PubChem化学物质编号:
NACRES:
NA.21
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同位素纯度
99 atom % D
质量水平
检测方案
99% (CP)
形式
liquid
技术
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
质量偏移
M+6
SMILES字符串
[2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
InChI
1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
InChI key
KFZMGEQAYNKOFK-WFGJKAKNSA-N
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一般描述
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.
应用
2-Propanol-1,1,1,3,3,3-d6 may be used in the synthesis of isotopomers of isopropylformate.
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警示用语：
Danger
危险声明
危险分类
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
靶器官
Central nervous system
WGK
WGK 1
闪点(°F)
closed cup
闪点(°C)
closed cup
法规信息
美国出口管控1C298产品
危险化学品
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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