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Merck
CN

617032

Sigma-Aldrich

Benzyl cyanide-2,2-d2

98 atom % D

Synonym(s):

Benzyl cyanide-α,α-d2

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About This Item

Linear Formula:
C6H5CD2CN
CAS Number:
935-66-0
Molecular Weight:
119.16
MDL number:
MFCD01073972
UNSPSC Code:
12352002
PubChem Substance ID:
329759652

Key Documents

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isotopic purity

98 atom % D

Assay

99% (CP)

bp

233-234 °C (lit.)

mp

-24 °C (lit.)

density

1.032 g/mL at 25 °C

mass shift

M+2

SMILES string

[2H]C([2H])(C#N)c1ccccc1

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i6D2

InChI key

SUSQOBVLVYHIEX-NCYHJHSESA-N

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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

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311,H330

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
CX1839
EK1190

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