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294098

Benzonitrile

Name: Benzonitrile
Brand: SIAL

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

NACRES:

NA.21

PubChem Substance ID:

57648369

eCl@ss:

39031505

UNSPSC Code:

12352002

EC Number:

202-855-7

MDL number:

MFCD00001770

Beilstein/REAXYS Number:

506893

Assay:

≥99%

Grade:

anhydrous

Bp:

191 °C (lit.)

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Properties

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

Description

Application

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

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pictograms

GHS07

signalword

Warning

hcodes

H302 + H312

pcodes

P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501

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

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

Regulatory Information

危险化学品

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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)

Generation and cyclization of 5-hexenyllithium: 2-cyclopentylacetophenone

Bailey WF, et al

Organic Syntheses, 81, 121-121 (2005)

Bis(trifluoromethyl)diazomethane

Middleton WJ and Gale DM

Organic Syntheses, 50, 6-6 (1970)

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Global Trade Item Number

SKU	GTIN
294098-1L	04061826600993
294098-100ML	04061826600979