Basic information
- Standard SMILES
Cc1ccc(N)c([N+](=O)[O-])c1- InChIKey
DLURHXYXQYMPLT-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 4-Methyl-2-nitroaniline
- IUPAC
- 4-methyl-2-nitroaniline
- English name
- 89-62-3
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
Show more names
Database identifiers
- CAS
89-62-3- PubChem CID
- 6978
- DTXSID
DTXSID2025632- ChEMBL
CHEMBL1496758- ChEBI
CHEBI:66920- UNII
- VA01LI60P4
- EC Number
- 201-924-9
- Nikkaji
- J95.093I
Properties
Computed structural properties
- XLogP
- 2
- 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
Flash Point
315 °F (NTP, 1992)
315 °F
Physical Description
4-methyl-2-nitroaniline appears as red crystals or bright orange powder. (NTP, 1992)
Red to bright-orange solid; [CAMEO]
Physicochemical properties
- Melting point
- 116.3 °C · 116.3 °C
- Boiling point
- 302.9 · 302.9±22.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- pka
- 0.46 · 0.46±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H411
- Precautionary statements
- 273 · P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 157) of reports.
Danger
H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (96.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (98.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (98.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 157 reports by companies.;There are 9 notifications provided by 156 of 157 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenamine, 4-methyl-2-nitro-
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5546
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes and skin.;ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion, or skin absorption. It produces toxic fumes of carbon monoxide, carbon dioxide, and nitrogen oxide on decomposition. (NTP, 1992)
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxicology
Regulatory information
Regulatory Information
Chemical: Benzenamine, 4-methyl-2-nitro-
Status: Active Update: 15-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5546
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- Hazard statements
- H301+H311+H331-H373-H411
- Precautionary statements
- P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
Suppliers50 total
Additional notes
DefinitionChEBI: 2-nitro-p-toluidine is a C-nitro compound in which the nitro compound is ortho to the amino group and meta to the methyl group of p-toluidine. It is functionally related to a p-toluidine.
Related reactions
Linked notes
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