Basic information
- CAS
29757-24-2- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1.N.Nc1cccc([N+](=O)[O-])c1.Nc1ccccc1[N+](=O)[O-]- InChIKey
VBEGHXKAFSLLGE-UHFFFAOYSA-N- Molecular formula
- C19H22N6O6
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.16008244
Overview
Nitroanilines appears as orange-red to yellow crystalline solids with an musty odor or no odor. Consists of a mixture in unspecified proportions the compounds three isomeric forms. Used as corrosion inhibitors and to make other chemicals. Toxic by inhalation and skin absorption. Produces oxides of nitrogen during combustion.
Names & identifiers
- Preferred name
- Nitroaniline
- IUPAC
- azane;1-methyl-4-nitrobenzene;2-nitroaniline;3-nitroaniline
- English name
- nitroaniline
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.13
Names & synonyms
Nitroanilines29757-24-2DTXSID801054389RefChem:166076CHEBI:25550NitroanilineBenzenamine, ar-nitro-SCHEMBL29006680
Database identifiers
- CAS
29757-24-2- PubChem CID
- 34692
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Flash Point309 to 390 °F (NFPA, 2010)
Physical Description
Nitroanilines appears as orange-red to yellow crystalline solids with an musty odor or no odor. Consists of a mixture in unspecified proportions the compounds three isomeric forms. Used as corrosion inhibitors and to make other chemicals. Toxic by inhalation and skin absorption. Produces oxides of nitrogen during combustion.
Physicochemical properties
- EPA Substance Registry System
- Nitroaniline (29757-24-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide1661 153
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity ProfileNITROANILINE is basic. Reacts with acids. May react with organic materials. In the presence of moisture, the heat of the reaction may be sufficient to cause ignition.
DOT Hazard Classification
Nitroanilines (o-; m-; p-;)
UN1661
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Symbol +: Fixes the proper shipping name, hazard class and packing group for that entry
Air and Water ReactionsSlightly soluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Chemistry & industry
Applications
General DescriptionOrange-red to yellow crystalline solids with an musty odor or no odor. Consists of a mixture in unspecified proportions the compounds three isomeric forms. Flash point 266°F. Used as corrosion inhibitors and to make other chemicals. Toxic by inhalation and skin absorption. Produces oxides of nitrogen during combustion.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…