4-Nitroaniline
Properties
- Molecular formula
- C6H6N2O2
- Molar mass
- 138.13 g/mol
- Exact mass
- 138.0429 Da
- Density
- 1.424 g/mL (at 20 °C)
- Melting point
- 146 °C
- Boiling point
- 332 °C
- pKa
- 1.01
- Flash point
- 199 °C (closed cup)
- Water solubility
- 800 mg/L (18.5 °C)
- logP
- 1.18Crippen estimate
- Polar surface area
- 69.2 Ų
- 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, index 612-012-00-9[3]), 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
100-01-6SMILES
Nc1ccc([N+](=O)[O-])cc1InChIKey
TYMLOMAKGOJONV-UHFFFAOYSA-NInChI
InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
31 names · show all
- Benzenamine, 4-nitro-
- Aniline, p-nitro-
- 4-Nitrobenzenamine
- C.I. 37035
- 1-Amino-4-nitrobenzene
- C.I. Azoic diazo component 37
- C.I. Developer 17
- Developer P
- Devol red GG
- Fast red P base
- Fast red 2G base
- Fast red base 2J
- Fast red base GG
- Fast red GG base
- Fast red MP base
- Naphtoelan red GG base
- p-Nitraniline
- Nitrazol CF extra
- PNA
- Red 2G base
- Shinnippon fast red GG base
- p-Nitroaniline
- p-Aminonitrobenzene
- p-Nitrophenylamine
- Azoamine red zh
- 4-Aminonitrobenzene
- 4-Nitrophenylamine
- 4-Amino-1-nitrobenzene
- 4-Nitro-1-aminobenzene
- NSC 9797
- p-Aminonitrobenze
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 100-01-6. Each row opens the sheet with its composition and PDF.
Work with 4-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
4-[(4-Nitrophenyl)thio]benzenamine101-59-778 % similar
4-(4-Nitrophenoxy)benzenamine6149-33-378 % similar
4-Amino-4′-nitroazobenzene730-40-578 % similar
1,4-Dinitrobenzene100-25-471 % similar
4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar
3,5-Dinitroaniline618-87-162 % similar
3-Nitroaniline99-09-259 % similar
1,2-Bis(4-nitrophenyl)ethane736-30-158 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.