2-Nitroacetophenone

Names

[ CAS No. ]:
614-21-1

[ Name ]:
2-Nitroacetophenone

[Synonym ]:
α-Nitroacetophenone
2-Nitro-1-phenylethan-1-one
MFCD00010218
2-Nitroacetophenone
WN1VR
Ethanone, 2-nitro-1-phenyl-
2-Nitro-1-phenylethanone
Benzoylnitromethane
2-Nitro-1-phenylethanon

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
298.6±23.0 °C at 760 mmHg

[ Melting Point ]:
105-107ºC

[ Molecular Formula ]:
C₈H₇NO₃

[ Molecular Weight ]:
165.146

[ Flash Point ]:
146.9±15.4 °C

[ Exact Mass ]:
165.042587

[ PSA ]:
62.89000

[ LogP ]:
1.68

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.545

[ Storage condition ]:
Refrigerator (+4°C)

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

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

Kinetics of Proton Transfer from Benzoylnitromethane and 1,2-Diphenyl-2-nitroethanone to Various Bases. Resonance, Inductive, Solvation, Steric, and Transition State Hydrogen-Bonding Effects on Intrinsic Rate Constants.

J. Org. Chem. 62(23) , 8162-8170, (1997)

The replacement of a hydrogen in nitromethane and in phenylnitromethane by the PhCO group has a strong acidifying effect, i.e., PhCOCH(2)NO(2), 5, is 5.8, 6.6, and 8.6 pK(a) units more acidic than CH(...