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490482

Pentane-d12

98 atom % D

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About This Item

Linear Formula:
CD3(CD2)3CD3
CAS Number:
2031-90-5
Molecular Weight:
84.22
NACRES:
NA.21
PubChem Substance ID:
24872566
UNSPSC Code:
12142201
MDL number:
MFCD00190495
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+12
Form:
liquid
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isotopic purity

98 atom % D

Quality Segment

200

assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.358 (lit.)

bp

36 °C (lit.)

mp

-130 °C (lit.)

density

0.731 g/mL at 25 °C (lit.)

mass shift

M+12

SMILES string

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

InChI

1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2

InChI key

OFBQJSOFQDEBGM-HYVJACIRSA-N

General description

Pentane-d12 is a deuterated NMR solvent useful in NMR-based research and analyses.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-56.2 °F - closed cup

flash_point_c

-49.00 °C - closed cup

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