Basic information
- CAS
119-32-4- Standard SMILES
Cc1ccc(N)cc1[N+](=O)[O-]- InChIKey
GDIIPKWHAQGCJF-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
5-nitro-4-toluidine appears as a orange-red or yellow crystalline solid. Insoluble in water. May be toxic by ingestion. Used to make dyes and pigments.
Names & identifiers
- Preferred name
- 4-Methyl-3-nitroaniline
- IUPAC
- 4-methyl-3-nitroaniline
- English name
- 4-Methyl-3-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
4-Methyl-3-nitroaniline119-32-44-Amino-2-nitrotoluene3-Nitro-p-toluidine3-Nitro-4-toluidine3-Nitro-4-methylaniline2-Nitro-4-aminotoluenem-Nitro-p-toluidineBenzenamine, 4-methyl-3-nitro-5-Nitro-4-toluidinep-Toluidine, 3-nitro-DTXSID7025633
Show more names
MNPTMETA NITRO PARA TOLUIDINEFAST RED GL BASEGl-aminFAST RED GLFAST RED G BASE
4-methyl-3-nitrobenzenamineSM8UZ1Q81F1-Amino-3-nitro-4-methylbenzeneNSC-7731DTXCID805633RefChem:99774204-314-0GL-Amin [Czech]
Database identifiers
- CAS
119-32-4、60999-18-0- PubChem CID
- 8390
- DTXSID
DTXSID7025633- ChEMBL
CHEMBL1350617- ChEBI
CHEBI:81670- UNII
- SM8UZ1Q81F
- EC Number
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Density1.312 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Flash Point315 °F (NTP, 1992)
Melting Point172 to 174 °F (NTP, 1992)
Vapor Density5.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical Description5-nitro-4-toluidine appears as a orange-red or yellow crystalline solid. Insoluble in water. May be toxic by ingestion. Used to make dyes and pigments.
Physicochemical properties
- Melting point
- 74 · 74-77 °C(lit.)
- Boiling point
- 169 °C · 169 °C (21 mmHg)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (96.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 90 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 4-methyl-3-nitro-
Status: Active Update: 18-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22367
Benzenamine, 4-methyl-3-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile5-NITRO-4-TOLUIDINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (96.7%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-methyl-3-nitro-: ACTIVE
Applications
Description4-Methyl-3-nitroaniline is one of the intermediates or products in the photochemical transformations (λ=254 nm) of 2,4-dinitrotoluene (2,4-DNT) in aqueous solutions containing the cationic surfactant cetyltrimethylammonium (CTA) and the anionic nucleophile borohydride (BH4-)[1].
Uses4-Methyl-3-nitroaniline is a compound useful in organic synthesis. It is used to make pigments and dyes. It could also be used in Environmental Testing. It could be used as raw material to synthesized N-(4-methyl-3-nitrophenyl)-4-(4-methylpiperazin-1-ylmethyl)benzamide through acylation[2].
Upstream & downstream products
Downstream products
Related reactions
83 records
Compound notes
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