C81004
Cinnamonitrile
97%
Synonym(s):
3-Phenylacrylonitrile
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About This Item
Linear Formula:
C6H5CH=CHCN
CAS Number:
Molecular Weight:
129.16
Beilstein:
1209546
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
Assay:
97%
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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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Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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
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.
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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