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303011

Sigma-Aldrich

Heptane-d16

99 atom % D

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Linear Formula:
CD3(CD2)5CD3
CAS Number:
Molecular Weight:
116.30
MDL number:
PubChem Substance ID:
NACRES:
NA.21

vapor density

3.5 (vs air)

Quality Level

100
200

vapor pressure

40 mmHg ( 20 °C)

isotopic purity

99 atom % D

assay

99% (CP)

form

liquid

autoignition temp.

595 °F

technique(s)

NMR: suitable

refractive index

n20/D 1.3844 (lit.)

bp

98 °C (lit.)

mp

-91 °C (lit.)

density

0.794 g/mL at 25 °C (lit.)

mass shift

M+16

SMILES string

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

InChI

1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2

InChI key

IMNFDUFMRHMDMM-NEBSKJCTSA-N

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1 of 4

This Item
492728491470456322
Heptane-d16 99 atom % D

303011

Heptane-d16

Heptane-1-13C 99 atom % 13C

492728

Heptane-1-13C

3-Methylhexane-d16 98 atom % D

491470

3-Methylhexane-d16

2,2,4-Trimethylpentane-d18 98 atom % D

456322

2,2,4-Trimethylpentane-d18

technique(s)

NMR: suitable

technique(s)

-

technique(s)

-

technique(s)

-

isotopic purity

99 atom % D

isotopic purity

99 atom % 13C

isotopic purity

98 atom % D

isotopic purity

98 atom % D

assay

99% (CP)

assay

99% (CP)

assay

-

assay

99% (CP)

Quality Level

100, 200

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

-

form

-

form

-

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signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

24.8 °F - closed cup

flash_point_c

-4.00 °C - closed cup


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The polarizability of some deuterated hydrocarbons.
LeGrand DG and Gaines Jr GL.
The Journal of Physical Chemistry, 98(18), 4842-4844 (1994)
Solution phase coordination chemistry of trivalent lanthanide and actinide cations with bis (2, 4, 4-trimethylpentyl) dithiophosphinic acid.
Jensen MP, et al.
Journal of Nuclear Science and Technology (Abingdon, United Kingdom), 39, 255-258 (2002)

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