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Home > Encyclopedia > N,N-Diethyl-3-nitrobenzenamine

N,N-Diethyl-3-nitrobenzenamine

N,N-Diethyl-3-nitrobenzenamine structure

N,N-Diethyl-3-nitrobenzenamine 

structure
  • CAS No:

    2216-16-2

  • Formula:

    C10H14N2O2

  • Chemical Name:

    N,N-Diethyl-3-nitrobenzenamine

  • Synonyms:

    Benzenamine,N,N-diethyl-3-nitro-;Aniline,N,N-diethyl-m-nitro-;N,N-Diethyl-3-nitrobenzenamine;N,N-Diethyl-3-nitroaniline;m-Nitro-N,N-diethylaniline;N,N-Diethyl-m-nitroaniline;3-Nitro-N,N-diethylaniline

N,N-Diethyl-3-nitrobenzenamine Basic Attributes

194.23

194.23

DTXSID0062260

2921420090

Characteristics

49.1

2.9

1.127 g/cm3

77.5°C (estimate)

135 °C @ Press: 0.7 Torr

135.7ºC

1.568

Safety Information

20/21/22-36/37/38

26-36/37/39

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

N,N-Diethyl-3-nitrobenzenamine Use and Manufacturing

Methods of Manufacturing

General procedure: To a solution of 1-bromo-3-nitrobenzene (1 eq.) in 1, 4-dioxane (0.45 M) was added corresponding amine (1.4 eq.), palladium (II) acetate(0.12 eq.), cesium carbonate (2 eq.) and XantPhos (0.12 eq.). The reaction mixturewas heated at 80 C under nitrogen for 8 h. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate, washed with water twice and then with brine. The organic fraction was dried over anhydrous magnesium sulfate, filtered, and concentrated in vacuo. The residue was purified by columnchromatography (SiO2, ethyl acetate/hexanes) to give the desired product.

Benzenamine, N,N-diethyl-3-nitro-: INACTIVE

Computed Properties

Molecular Weight:194.23
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:194.105527694
Monoisotopic Mass:194.105527694
Topological Polar Surface Area:49.1
Heavy Atom Count:14
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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