3-Nitroaniline

C₆H₆N₂O₂CAS 99-09-2138.13 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
Density: 0.9011 g/mL (at 25 °C)
Melting point: 114 °C
Boiling point: 306 °C
pKa: 2.466 (25 °C)
Flash point: 199 °C
Water solubility: 1.2 g/L (24 °C)
logP: 1.18Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

99-09-2

SMILES

Nc1cccc([N+](=O)[O-])c1

InChIKey

XJCVRTZCHMZPBD-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2

Weigh it out

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

Names and synonyms

30 names · show all

Benzenamine, 3-nitro-
Aniline, m-nitro-
3-Nitrobenzenamine
C.I. 37030
Amarthol fast orange R base
Azobase MNA
Daito orange base R
Devol orange R
Diazo fast orange R
Fast orange M base
Fast orange R base
Fast orange MM base
Hiltonil fast orange R base
Fast orange base R
MNA
Naphtoelan orange R base
m-Nitroaniline
Orange base irga I
C.I. Azoic diazo component 7
Fast orange R salt
m-Nitrophenylamine
Nitranilin
1-Amino-3-nitrobenzene
m-Aminonitrobenzene
m-Nitroaminobenzene
meta-Nitroaniline
3-Aminonitrobenzene
3-Nitrophenylamine
NSC 9574
m-Aminonitrobenze

Work with 3-Nitroaniline

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

1,3-Dinitrobenzene99-65-069 % similar 3,5-Dinitroaniline618-87-164 % similar 3-Nitrochlorobenzene121-73-358 % similar 1-Fluoro-3-nitrobenzene402-67-558 % similar 3-Nitrobiphenyl2113-58-856 % similar Bis(3-nitrophenyl) disulfide537-91-756 % similar 3-Nitrophenol554-84-756 % similar 1-Bromo-3-nitrobenzene585-79-556 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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