2-Methyl-4-nitroaniline
Basic information
- CAS
99-52-5- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N- InChIKey
XTTIQGSLJBWVIV-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
2-methyl-4-nitroaniline appears as yellow needles or mustard yellow powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Methyl-4-nitroaniline
- IUPAC
- 2-methyl-4-nitroaniline
- English name
- 2-Methyl-4-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
2-Methyl-4-nitroaniline99-52-52-Amino-5-nitrotoluene4-Nitro-o-toluidineBenzenamine, 2-methyl-4-nitro-2-Methyl-4-nitrobenzenamine2-Methyl-4-nitrophenylamine4-NITRO-2-TOLUIDINE4-Nitro-o-toludine2-Methyl-p-nitroaniline3-Methyl-4-aminonitrobenzeneCCRIS 2877
Show more names
FAST REDPNOTredrlbase2-AMino-5-FAST RED RL BASETemloTempraCI 37100
Azoic diazo component 34, baseDTXSID30256292-Amino-1-methyl-5-nitrobenzeneFFY36EWC4RNSC 2075EINECS 202-762-1BRN 0775772AI3-16312
Database identifiers
- CAS
99-52-5- PubChem CID
- 7441
- DTXSID
DTXSID3025629- ChEMBL
CHEMBL1319213- UNII
- FFY36EWC4R
- EC Number
- 202-762-1
- Nikkaji
- J95.088B
Properties
Computed structural properties
- XLogP
- 1.1
- 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 PropertiesDensity
Density1.1586 at 284 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point268 to 271 °F (NTP, 1992)
Physical Description2-methyl-4-nitroaniline appears as yellow needles or mustard yellow powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 130 · 130-132 °C(lit.)
- Boiling point
- 294.61 °C · 294.61°C (rough estimate)
- Density
- 1.1586 · 1.1586
- vapor pressure
- 20.4 hPa · 20.4hPa at 133.5℃
- refractive index
- 1.6276 · 1.6276 (estimate)
- Flash point
- 157.2 ℃ · 157.2℃
- storage temp.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Regulatory Information
Chemical: Benzenamine, 2-methyl-4-nitro-
REACH registered substance: 4-nitro-o-toluidine (EC: 202-762-1)
2-Methyl-4-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes and skin. Structurally similar chemicals may cause methemoglobinemia.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2-METHYL-4-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-methyl-4-nitro-: ACTIVE
Applications
Description2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.
UsesA red azoic dye.
Uses2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.
General DescriptionYellow needles or mustard yellow powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
155 records
Compound notes
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