130761
(3′-Nitropropiophenone)
98%
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About This Item
Linear Formula:
O2NC6H4COC2H5
CAS Number:
Molecular Weight:
179.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
241-435-8
MDL number:
Assay:
98%
Form:
solid
InChI key
VSPOTMOYDHRALZ-UHFFFAOYSA-N
InChI
1S/C9H9NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
SMILES string
CCC(=O)c1cccc(c1)[N+]([O-])=O
assay
98%
form
solid
mp
98-101 °C (lit.)
functional group
ketone, nitro
Application
3′-Nitropropiophenone was used to study the FTIR and FT Raman spectra in the regions 3500-100 cm(-1).
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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P Udhayakala et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 75(2), 567-573 (2009-12-25)
The FTIR and FT Raman spectra of 3'-chloropropiophenone and 3'-nitropropiophenone have been recorded in the regions 4000-400 and 3500-100 cm(-1) respectively. The optimized geometry, frequency and intensity of the vibrational bands of 3'-chloropropiophenone and 3'-nitropropiophenone were obtained by ab initio
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