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Merck
CN

C81004

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893023
EC Number:
217-552-5
Beilstein/REAXYS Number:
1209546
MDL number:
MFCD00001930

Key Documents

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Product Name

Cinnamonitrile, 97%

InChI key

ZWKNLRXFUTWSOY-QPJJXVBHSA-N

InChI

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

SMILES string

N#C\C=C\c1ccccc1

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.)

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pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

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

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBH6381
STBH7732
STBF2427V
S50442V
S50442

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Yasushi Obora et al.
Organic & biomolecular chemistry, 8(18), 4071-4073 (2010-07-24)
A facile direct synthesis of cinnamonitriles from acrylonitriles and benzenes is successfully achieved by using Pd(OAc)(2)/HPMoV/O(2) catalyst system via the direct C-H bond activation of benzenes using molecular oxygen as a terminal oxidant.
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
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
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
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
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