HC Orange 1

C₁₂H₁₀N₂O₃CAS 54381-08-7230.22 g/mol

Open in Covalent MOL file

Nitro Phenol Secondary amine

Properties

Molecular formula: C₁₂H₁₀N₂O₃
Molar mass: 230.22 g/mol
Exact mass: 230.0691 Da
logP: 3.04Crippen estimate
Polar surface area: 75.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H312 Harmful in contact with skin18.2% of notifiers
H315 Causes skin irritation31.8% of notifiers
H319 Causes serious eye irritation95.5% of notifiers
H332 Harmful if inhaled18.2% of notifiers
H335 May cause respiratory irritation27.3% of notifiers
H400 Very toxic to aquatic life31.8% of notifiers
H411 Toxic to aquatic life with long lasting effects31.8% of notifiers

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

54381-08-7

SMILES

O=[N+]([O-])c1ccccc1Nc1ccc(O)cc1

InChIKey

HSDSBIUUVWRHTM-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H

Weigh it out

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

Names and synonyms

5 names

Phenol, 4-[(2-nitrophenyl)amino]-
4-[(2-Nitrophenyl)amino]phenol
4′-Hydroxy-2-nitrodiphenylamine
N-(4-Hydroxyphenyl)-2-nitroaniline
HC orange no. 1

Work with HC Orange 1

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

2-Nitrodiphenylamine119-75-574 % similar 2,4′-Dinitrodiphenylamine612-36-272 % similar N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-268 % similar Disperse yellow 1119-15-368 % similar N-(4-Methoxyphenyl)-2-nitrobenzenamine54381-13-463 % similar (2-Nitrophenyl)hydrazine3034-19-354 % similar N-Methyl-2-nitrobenzenamine612-28-253 % similar 2,4-Dinitrodiphenylamine961-68-252 % similar

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

Same formula

1-(2-Nitrobenzyl)pyrrole-2-carboxaldehyde22162-51-2 4-(4-Nitrophenoxy)benzenamine6149-33-3

Elsewhere

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