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Key Documents

151807

Sigma-Aldrich

Acetonitrile-d3

≥99.8 atom % D

동의어(들):

Methyl-d3 cyanide, Trideuteroacetonitrile

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About This Item

Linear Formula:
CD3CN
CAS Number:
Molecular Weight:
44.07
Beilstein:
1740230
EC Number:
MDL number:
UNSPSC 코드:
12142201
PubChem Substance ID:
NACRES:
NA.21

동위원소 순도

≥99.8 atom % D

Quality Level

분석

≥99% (CP)

형태

liquid

expl. lim.

3.0-16 % (lit.)

기술

NMR: suitable

불순물

≤0.0200% water
water

refractive index

n20/D 1.341 (lit.)

bp

80.7 °C (lit.)

mp

-46 °C (lit.)

density

0.844 g/mL at 25 °C (lit.)

질량 이동

M+3

SMILES string

[2H]C([2H])([2H])C#N

InChI

1S/C2H3N/c1-2-3/h1H3/i1D3

InChI key

WEVYAHXRMPXWCK-FIBGUPNXSA-N

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일반 설명

Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D of CD3CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.

애플리케이션

Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.

추천 제품

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픽토그램

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신호어

Danger

유해 및 위험 성명서

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point (°F)

35.6 °F - closed cup

Flash Point (°C)

2.00 °C - closed cup


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시험 성적서(COA)

Lot/Batch Number

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이 제품을 이미 가지고 계십니까?

문서 라이브러리에서 최근에 구매한 제품에 대한 문서를 찾아보세요.

문서 라이브러리 방문

Ultrafast Ring-Closure Reaction of Photochromic Indolylfulgimides Studied with UV-Pump- IR-Probe Spectroscopy
Koller.OF, et al.
The Journal of Physical Chemistry A, 112(2), 210-214 (2008)
Synthesis and Structure of Homoleptic Iron Complex Bearing Pincer-Type 1, 2, 3-Triazol-5-ylidene.
Iwasaki H, et al.
Organic Chemistry Current Research, 6, 2161-0401 (2016)
Method development in quantitative NMR towards metrologically traceable organic certified reference materials used as 31P qNMR standards.
Weber M, et al.
Analytical and Bioanalytical Chemistry, 407(11), 91-98 (2015)
[Cp*IrCl2]2-catalysed cyclization of 2-alkynylanilines into indoles.
Kumaran E and Leong WK.
Tetrahedron Letters, 55(40), 5495-5498 (2014)
Pressure dependencies of rotational, translational, and viscous friction coefficients in water-d2, acetonitrile-d3, acetonitrile, chloroform, and benzene.
Wakai C and Nakahara M.
J. Chem. Phys., 100(11), 8347-8358 (1994)

문서

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

관련 콘텐츠

NMR spectroscopy elucidates molecular structure and purity via nuclear spin states in a strong magnetic field.

자사의 과학자팀은 생명 과학, 재료 과학, 화학 합성, 크로마토그래피, 분석 및 기타 많은 영역을 포함한 모든 과학 분야에 경험이 있습니다..

고객지원팀으로 연락바랍니다.