3-Nitropropiophenone

Names

[ Name ]:
3-Nitropropiophenone

[Synonym ]:
1-(3-Nitrophenyl)Propanone
3'-Nitropropiophenone
MFCD00051516
3-Nitropropiophenone
3-Nitrophenyl Ethyl Ketone
1-(3-nitrophenyl)propan-1-one
EINECS 241-435-8
3-Nitro-1-phenylpropan-1-one

Chemical & Physical Properties

[ Density]:
1.199 g/cm3

[ Boiling Point ]:
254.5ºC at 760 mmHg

[ Melting Point ]:
98-101 °C(lit.)

[ Molecular Formula ]:
C₉H₉NO₃

[ Molecular Weight ]:
179.17300

[ Flash Point ]:
106.3ºC

[ Exact Mass ]:
179.05800

[ PSA ]:
62.89000

[ LogP ]:
2.71070

[ Vapour Pressure ]:
0.0171mmHg at 25°C

[ Index of Refraction ]:
1.548

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
20/21/22-36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Articles

Vibrational spectroscopy investigation using ab initio and density functional theory on 3'-chloropropiophenone and 3'-nitropropiophenone.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 75(2) , 567-73, (2010)

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 int...