Benzyl-2,3,4,5,6-d₅ cyanide

Name: Benzyl-2,3,4,5,6-d<SUB>5</SUB> cyanide
Brand: ALDRICH

≥98 atom % D, ≥98% (CP)

Synonym(s):

Benzene-d₅-acetonitrile

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Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

About This Item

Linear Formula:

C₆D₅CH₂CN

CAS Number:

70026-36-7

Molecular Weight:

122.18

UNSPSC Code:

12352202

PubChem Substance ID:

24872998

MDL number:

MFCD01317462

Isotopic purity:

≥98 atom % D

Assay:

≥98% (CP)

Mass shift:

M+5

Key Documents

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Product Name

Benzyl-2,3,4,5,6-d₅ cyanide, ≥98 atom % D, ≥98% (CP)

InChI

1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2/i1D,2D,3D,4D,5D

SMILES string

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

InChI key

SUSQOBVLVYHIEX-RALIUCGRSA-N

isotopic purity

≥98 atom % D

assay

≥98% (CP)

refractive index

n20/D 1.521 (lit.)

bp

233-234 °C (lit.)

mp

−24 °C (lit.)

density

1.059 g/mL at 25 °C (lit.)

mass shift

M+5

Quality Level

200

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1 of 4

This Item	491896	486965	495840
Sigma-Aldrich 495859 Benzyl-2,3,4,5,6-d₅ cyanide	Sigma-Aldrich 491896 Benzonitrile-d₅	Sigma-Aldrich 486965 Benzyl cyanide-(cyano-¹³C)	Sigma-Aldrich 495840 Benzyl cyanide-d₇
mass shift M+5	mass shift M+5	mass shift M+1	mass shift M+7
isotopic purity ≥98 atom % D	isotopic purity 99 atom % D	isotopic purity 99 atom % ¹³C	isotopic purity 98 atom % D
assay ≥98% (CP)	assay 99% (CP)	assay 99% (CP)	assay -
Quality Level 200	Quality Level 200	Quality Level 200	Quality Level 200
refractive index n20/D 1.521 (lit.)	refractive index n20/D 1.528 (lit.)	refractive index n20/D 1.523 (lit.)	refractive index n20/D 1.521 (lit.)
density 1.059 g/mL at 25 °C (lit.)	density 1.059 g/mL at 25 °C	density 1.024 g/mL at 25 °C	density 1.076 g/mL at 25 °C (lit.)

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

GHS06

signalword

Danger

hcodes

H301 + H311,H330

pcodes

P260 - P264 - P270 - P280 - P302 + P352 + P312 - P304 + P340 + P310

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral

Storage Class

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

MKCF1745

MKCD0164

07909JS

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Benzyl-2,3,4,5,6-d₅ cyanide