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491896

Sigma-Aldrich

Benzonitrile-d5

99 atom % D

Synonym(s):

Phenyl-d5 cyanide

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About This Item

Linear Formula:
C6D5CN
CAS Number:
2102-15-0
Molecular Weight:
108.15
MDL number:
MFCD00190382
UNSPSC Code:
12352005
PubChem Substance ID:
24872699
NACRES:
NA.12

isotopic purity

99 atom % D

Assay

99% (CP)

refractive index

n20/D 1.528 (lit.)

bp

191 °C (lit.)

mp

−13 °C (lit.)

density

1.059 g/mL at 25 °C

mass shift

M+5

SMILES string

[2H]c1c([2H])c([2H])c(C#N)c([2H])c1[2H]

InChI

1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D

InChI key

JFDZBHWFFUWGJE-RALIUCGRSA-N

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

Certificates of Analysis (COA)

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