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C81004

Sigma-Aldrich

Cinnamonitrile

97%

Synonym(s):

3-Phenylacrylonitrile

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About This Item

Linear Formula:
C6H5CH=CHCN
CAS Number:
1885-38-7
Molecular Weight:
129.16
Beilstein:
1209546
EC Number:
217-552-5
MDL number:
MFCD00001930
UNSPSC Code:
12352100
PubChem Substance ID:
24893023
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.601 (lit.)

bp

254-255 °C (lit.)

mp

18-20 °C (lit.)

density

1.028 g/mL at 25 °C (lit.)

SMILES string

N#C\C=C\c1ccccc1

InChI

1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+

InChI key

ZWKNLRXFUTWSOY-QPJJXVBHSA-N

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Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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P J van Bladeren et al.
Drug metabolism and disposition: the biological fate of chemicals, 9(3), 246-249 (1981-05-01)
After administration of acrylonitrile, crotononitrile and cinnamonitrile to rats, two types of mercapturic acids were isolated from urine and identified by mass and NMR spectroscopy as N-acetyl-S-(2-cyanoethyl)-L-cysteine (I) and N-acetyl-S-(2-hydroxyethyl)-L-cysteine (II) (methyl-substituted in the case of crotonitrile and phenyl-substituted in
Deepali N Mehta-Hurt et al.
The Journal of chemical physics, 143(7), 074304-074304 (2015-08-25)
In Titan's atmosphere, photochemical pathways that lead to nitrogen heteroaromatics may incorporate photoisomerization of their structural isomers as a final step. (E)- and (Z)-phenylvinylnitrile ((E)- and (Z)-PVN, C6H5-CH=CHCN) are structural isomers of quinoline that themselves possess extensive absorptions in the
Derek Fischer et al.
Nature protocols, 2(1), 227-236 (2007-04-03)
A procedure for the synthesis of a ratiometric viscosity fluorescent sensor is described in this protocol. The essential requirement for the design of this sensor is the attachment of a primary fluorophore that has both a viscosity-independent fluorescence emission (coumarin
A J Alexander et al.
Analytical chemistry, 78(11), 3835-3838 (2006-06-02)
A directly coupled achiral/chiral SFC/MS method has been developed for the profiling of a three-step stereoselective synthesis of cinnamonitrile and hydrocinnamonitrile intermediates. Semipurified reaction mixtures were screened in one step to determine the diastereomeric/enantiomeric composition of the final product as
Iana M Serafimova et al.
Nature chemical biology, 8(5), 471-476 (2012-04-03)
Targeting noncatalytic cysteine residues with irreversible acrylamide-based inhibitors is a powerful approach for enhancing pharmacological potency and selectivity. Nevertheless, concerns about off-target modification motivate the development of reversible cysteine-targeting strategies. Here we show that electron-deficient olefins, including acrylamides, can be
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