P-Nitrophenetole

C8H9NO3CAS 100-29-8167.16 g/mol

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EtherNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Density
1.1176 g/mL (at 100 °C)
Melting point
60 °C
Boiling point
283 °C
Flash point
90 °C
logP
1.99Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
100-29-8
SMILES
CCOc1ccc([N+](=O)[O-])cc1
InChIKey
NWPKEYHUZKMWKJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3

Weigh it out

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Names and synonyms

13 names · show all
  • Benzene, 1-ethoxy-4-nitro-
  • Phenetole, p-nitro-
  • 1-Ethoxy-4-nitrobenzene
  • 4-Nitrophenetole
  • Ethyl p-nitrophenyl ether
  • p-Ethoxynitrobenzene
  • 4-Ethoxynitrobenzene
  • 4-Nitrophenyl ethyl ether
  • 4-Ethoxy-1-nitrobenzene
  • p-Nitrobenzene ethyl ether
  • NSC 9812
  • Ethyl 4-nitrophenyl ether
  • 4-Nitrophenetol

Work with P-Nitrophenetole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Butoxy-4-nitrobenzene7244-78-271 % similar 1-(2-Bromoethoxy)-4-nitrobenzene13288-06-765 % similar 2-(4-Nitrophenoxy)ethanol16365-27-865 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-065 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-360 % similar 1,4-Diethoxy-2-nitrobenzene119-23-359 % similar 2-Ethoxy-5-nitropyridine31594-45-359 % similar 4-Nitroanisole100-17-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

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