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294098

Sigma-Aldrich

Benzonitrile

anhydrous, ≥99%

Synonym(s):

Phenyl cyanide

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About This Item

Linear Formula:
C6H5CN
CAS Number:
100-47-0
Molecular Weight:
103.12
Beilstein/REAXYS Number:
506893
EC Number:
202-855-7
MDL number:
MFCD00001770
UNSPSC Code:
12352002
eCl@ss:
39031505
PubChem Substance ID:
57648369
NACRES:
NA.21
grade:
anhydrous
assay:
≥99%
bp:
191 °C (lit.)

grade

anhydrous

Quality Level

100

assay

≥99%

form

liquid

expl. lim.

0.34-6.3 %

impurities

<0.003% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0003%

refractive index

n20/D 1.528 (lit.)

bp

191 °C (lit.)

mp

−13 °C (lit.)

SMILES string

N#Cc1ccccc1

InChI

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

InChI key

JFDZBHWFFUWGJE-UHFFFAOYSA-N

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Application

Benzonitrile may be used in the synthesis of organic building blocks such as 2-cyclopentylacetophenone[1], 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole[2] and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline.[3] It may also be used as a solvent in the synthesis of bis(trifluoromethyl)diazomethane.[4]

pictograms

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GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class

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

wgk_germany

WGK 1

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP3096
SHBM3718
SHBL2073
SHBK6494
SHBJ8742

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Generation and cyclization of 5-hexenyllithium: 2-cyclopentylacetophenone
Bailey WF, et al
Organic Syntheses, 81, 121-121 (2005)
Selective halogen-lithium exchange reactions of 2-(2'-halophenyl)ethyl halides: synthesis of 4,5-methylenedioxybenzocyclobutene and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline
Jakiela DJ, et al
Organic Syntheses, 62, 74-74 (1984)
A multiphase reaction medium including pressurized carbon dioxide and water for selective hydrogenation of benzonitrile with a Pd/Al2O3 catalyst.
Yoshida H, et al.
Applied Catalysis A: General, 456, 215-222 (2013)
Benzonitrile and acetonitrile complexes of ruthenium ammines.
Clarke RE and Ford PC.
Inorganic Chemistry, 9(2), 227-235 (1970)
Bis(trifluoromethyl)diazomethane
Middleton WJ and Gale DM
Organic Syntheses, 50, 6-6 (1970)
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Questions

1–2 of 2 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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