4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol

C₁₆H₁₁N₃O₃CAS 5290-62-0293.28 g/mol

Open in Covalent MOL file

Azo Nitro Phenol

Properties

Molecular formula: C₁₆H₁₁N₃O₃
Molar mass: 293.28 g/mol
Exact mass: 293.0800 Da
Melting point: 275–278 °C
logP: 4.87Crippen estimate
Polar surface area: 88.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

5290-62-0

SMILES

O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)cc1

InChIKey

MDLLSWJQIIAUQU-UHFFFAOYSA-N

InChI

InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H

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Names and synonyms

9 names

1-Naphthalenol, 4-[2-(4-nitrophenyl)diazenyl]-
1-Naphthol, 4-[(p-nitrophenyl)azo]-
1-Naphthalenol, 4-[(4-nitrophenyl)azo]-
Magneson II
4-[(p-Nitrophenyl)azo]-1-naphthol
4-[(4-Nitrophenyl)azo]-1-naphthol
p-(4-Hydroxy-1-naphthylazo)nitrobenzene
1-(4-Nitrophenylazo)-4-naphthol
NSC 5048

Work with 4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol

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

Azo violet74-39-562 % similar 4-[(4-Nitrophenyl)azo]-1,2-benzenediol843-33-462 % similar Acid orange 20523-44-455 % similar Fast orange3468-63-153 % similar 4-Nitro-1-naphthol605-62-952 % similar Mordant orange 12243-76-752 % similar Pigment red 42814-77-951 % similar Alizarine yellow R1718-34-949 % similar

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

Same formula

Para red6410-10-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook