4-(4-Nitrophenoxy)benzenamine

C₁₂H₁₀N₂O₃CAS 6149-33-3230.22 g/mol

Open in Covalent MOL file

Ether Nitro Primary amine

Properties

Molecular formula: C₁₂H₁₀N₂O₃
Molar mass: 230.22 g/mol
Exact mass: 230.0691 Da
Melting point: 134–135 °C
logP: 2.97Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6149-33-3

SMILES

Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

InChIKey

ASAOLTVUTGZJST-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzenamine, 4-(4-nitrophenoxy)-
Aniline, p-(p-nitrophenoxy)-
4-Nitro-4′-aminodiphenyl ether
p-Aminophenyl p-nitrophenyl ether
4-Amino-4′-nitrodiphenyl ether
p-Nitrophenyl p-aminophenyl ether
4-Aminophenyl 4-nitrophenyl ether
p-(p-Nitrophenoxy)aniline
4-Amino-4′-nitrophenyl ether
4-(4-Nitrophenoxy)aniline
NSC 74273
[4-(4-Nitrophenoxy)phenyl]amine

Work with 4-(4-Nitrophenoxy)benzenamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Nitroaniline100-01-678 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-378 % similar 1-Nitro-4-phenoxybenzene620-88-268 % similar 4-[(4-Nitrophenyl)thio]benzenamine101-59-764 % similar 4-Amino-4′-nitroazobenzene730-40-564 % similar 1,4-Dinitrobenzene100-25-456 % similar 4,4′-Diaminodiphenyl ether101-80-456 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-156 % similar

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

Same formula

1-(2-Nitrobenzyl)pyrrole-2-carboxaldehyde22162-51-2 HC Orange 154381-08-7

Elsewhere

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