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
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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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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.
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