377937
3-Nitrophenylacetonitrile
99%
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About This Item
Linear Formula:
O2NC6H4CH2CN
CAS Number:
Molecular Weight:
162.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
210-689-1
MDL number:
Assay:
99%
InChI key
WAVKEPUFQMUGBP-UHFFFAOYSA-N
InChI
1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
SMILES string
[O-][N+](=O)c1cccc(CC#N)c1
assay
99%
bp
180 °C/3 mmHg (lit.)
mp
60-62 °C (lit.)
functional group
nitrile, nitro
Quality Level
Related Categories
General description
3-Nitrophenylacetonitrile is a builing block. Reactions of 3-nitrophenylacetonitrile with isopropyl alcohol, cyclohexyl alcohol and benzyl alcohol at high temperature have been reported.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Carbon-carbon bond cleavage and esterification of phenylacetonitrile and its derivatives affording the corresponding benzoic esters.
Wang Z, et al.
J. Chem. Res. (M), 2007(6), 323-324 (2007)
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