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Merck
CN

175889

叔丁醇-d10

greener alternative

99 atom % D

别名:

2-甲基-2-丙醇-d10, tert-Butyl alcohol-d10

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关于此项目

线性分子式:
(CD3)3COD
化学文摘社编号:
53001-22-2
分子量:
84.18
EC 号:
258-288-0
MDL编号:
MFCD00064244
UNSPSC代码:
12142201
PubChem化学物质编号:
24850535
NACRES:
NA.21

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同位素纯度

99 atom % D

方案

99% (CP)

表单

liquid

环保替代产品得分

old score: 17
new score: 6
Find out more about DOZN™ Scoring

环保替代产品特性

Atom Economy
Less Hazardous Chemical Syntheses
Inherently Safer Chemistry for Accident Prevention
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

技术

NMR: suitable

杂质

≤0.5% water
water

折射率

n20/D 1.3835 (lit.)

沸点

82 °C (lit.)

密度

0.893 g/mL at 25 °C (lit.)

应用

pharmaceutical

环保替代产品分类

Re-engineered

质量偏移

M+10

SMILES字符串

[2H]OC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D

InChI key

DKGAVHZHDRPRBM-SGLLWXCUSA-N

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相关类别

一般描述

tert-Butanol-d10 (tert-Butyl alcohol-d10) is a deuterated derivative of tert-butanol. It participates in the synthesis of cyanoacetic acid-tert-butylester-d9. Conformational analysis of 2,3-dihydroxypropanoic acid in tert-butyl alcohol-d10 indicates the dominance of gauche-hydroxyl rotamers (92%) under low pH conditions.
We are committed to bringing you Greener Alternative Products that adhere to one of the four categories of Greener Alternatives. This product belongs to the category of Re-engineered Products, demonstrating key improvements in Green Chemistry Principles such as ′Atom Economy′, ′Less Hazardous Chemical Synthesis′, and ′Inherently Safer Chemistry for Accident Prevention.′ Click here to view its DOZN scorecard.

应用

tert-Butanol-d10 may be used in the synthesis of cyanoacetic acid-tert-butylester-d9 and tert-butoxide-d9 (BuOK-d9).

其他说明

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象形图

FlameExclamation mark
GHS02,GHS07

警示用语：

Danger

危险分类

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

靶器官

Central nervous system, Respiratory system

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

51.8 °F - closed cup

闪点(°C)

11 °C - closed cup

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MBBF0710
MBBC8688
MBBD6134
MBBC5716
MBBC1999

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Silacyclobutane as ?Carbanion Pump? in Anionic Polymerization. III. Synthesis of Di-and Tri-block Copolymer by ?Diphenylsilacyclobutane-Potassium tert-Butoxide System
Hyun J-Y and Kawakami Y
Polymer Journal, 36(10), 856-865 (2004)
Thorsten W Jaskolla et al.
Journal of the American Society for Mass Spectrometry, 22(6), 976-988 (2011-09-29)
This work experimentally verifies and proves the two long since postulated matrix-assisted laser desorption/ionization (MALDI) analyte protonation pathways known as the Lucky Survivor and the gas phase protonation model. Experimental differentiation between the predicted mechanisms becomes possible by the use
Michael D Drake et al.
Magnetic resonance in chemistry : MRC, 44(3), 210-219 (2006-02-16)
Vicinal (1)H--(1)H coupling constants were used to determine the conformational preferences of 2,3-dihydroxypropanoic acid (1) (DL-glyceric acid) in various solvents and its different carboxyl ionization states. The stereospecific assignments of J(12) and J(13) were confirmed through the point-group substitution of

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