Basic information
- CAS
26952-42-1- Standard SMILES
Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
IVOMCIOXYNVSEW-UHFFFAOYSA-N- Molecular formula
- C6H4N4O6
- Average molar mass
- 228.12 g/mol
- Monoisotopic mass
- 228.01308386
Overview
2,3,4-trinitroaniline appears as an orange-red crystalline structure. Highly toxic. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
Names & identifiers
- Preferred name
- 2,3,4-Trinitroaniline
- IUPAC
- 2,3,4-trinitroaniline
- English name
- trinitroaniline
- Molecular formula
- C6H4N4O6
- Molecular weight
- 228.11916
Names & synonyms
TRINITROANILINE2,3,4-trinitroanilineDTXSID10949734EINECS 248-137-7RefChem:441744DTXCID201377915248-137-726952-42-1Benzenamine, trinitro-SCHEMBL304540SCHEMBL8024777IVOMCIOXYNVSEW-UHFFFAOYSA-N
Show more names
NS00052124
Database identifiers
- CAS
26952-42-1- PubChem CID
- 3032829
- DTXSID
DTXSID10949734- EC Number
- 248-137-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Physical Description2,3,4-trinitroaniline appears as an orange-red crystalline structure. Highly toxic. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.
Physicochemical properties
- EPA Substance Registry System
- Trinitroaniline (26952-42-1)
- RIDADR
- 153 · UN 0153 (TRINITROANILINE (PICRAMIDE))
- HazardClass
- 1.1 D · 1.1D
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 LabelExplosive 1.1D
Fire HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Health HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsExplosive
Reactivity Profile
2,3,4-TRINITROANILINE is a nitrated aromatic amine. Materials in this group range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Air and Water ReactionsFlammable/combustible material. May be ignited by heat, sparks or flames. DRIED OUT material may explode if exposed to heat, flame, friction or shock; Treat as an explosive.
DHS Chemicals of Interest (COI)
Trinitroaniline
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
Safety & protection
Chemistry & industry
Applications
General DescriptionAn orange-red moist crystalline solid. Water slurry mitigates explosion hazard. Specific gravity 1.8. Melting point 370°F. Highly toxic.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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