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303011

Sigma-Aldrich

Heptane-d16

99 atom % D

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About This Item

Linear Formula:
CD3(CD2)5CD3
CAS Number:
33838-52-7
Molecular Weight:
116.30
MDL number:
MFCD00062744
UNSPSC Code:
12142201
PubChem Substance ID:
24858288
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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Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

24.8 °F - closed cup

Flash Point(C)

-4.00 °C - closed cup

Certificates of Analysis (COA)

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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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