chempirical

4-Nitroanisole

C7H7NO3CAS 100-17-4153.14 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Density
1.2083 g/mL (at 68.4 °C)
Melting point
54 °C
Boiling point
274 °C
logP
1.60Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P273, P280, P318, P405, P501

Identifiers

CAS number
100-17-4
SMILES
COc1ccc([N+](=O)[O-])cc1
InChIKey
BNUHAJGCKIQFGE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

Weigh it out

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Names and synonyms

16 names · show all
  • Benzene, 1-methoxy-4-nitro-
  • Anisole, p-nitro-
  • 1-Methoxy-4-nitrobenzene
  • p-Methoxynitrobenzene
  • p-Nitroanisole
  • 4-Methoxynitrobenzene
  • 4-Methoxy-1-nitrobenzene
  • Methyl p-nitrophenyl ether
  • p-Nitromethoxybenzene
  • 4-Nitrophenyl methyl ether
  • 4-Nitromethoxybenzene
  • 4-Nitro-1-methoxybenzene
  • p-Nitrobenzene methyl ether
  • Methyl 4-nitrophenyl ether
  • NSC 5507
  • 1-Nitro-4-methoxybenzene

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-17-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with 4-Nitroanisole

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

4-Methoxy-4'-nitrobiphenyl2143-90-089 % similar 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine74852-61-273 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-367 % similar 1-Methoxy-3,5-dinitrobenzene5327-44-666 % similar 1,4-Dinitrobenzene100-25-463 % similar 3-Nitroanisole555-03-363 % similar P-Nitrophenetole100-29-859 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0 4-Amino-3-hydroxybenzoic acid2374-03-0

Elsewhere

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