compound introduction
物理描述 | N-甲基-4-硝基苯胺为棕色-黄色棱柱体，带有紫色反光（来自乙醇）或黄色粉末。(NTP, 1992)
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N-methyl-4-nitroaniline
Dangerous GoodsCAS number：100-15-2 molecular formula：C7H8N2O2
overview
Specs
| Chinese alias | N-甲基-对硝基苯胺 | 甲基(4-硝基苯基)胺 | 4-硝基-N-甲基苯胺 | 4-（甲基氨基）硝基苯 | ||
| English alias | N-METHYL-4-NITROBENZENAMINE | methyl(4-nitrophenyl)amine | 4-(Methylamino)nitrobenzene | N-(4-Nitrophenyl)-N-methylamine | ||
| CAS number | 100-15-2 | molecular formula | C7H8N2O2 |
| molecular weight | 152.15 | Exact mass | ≥98%(GC) |
| PSA | 57.9 | logp | 2 |
numbering system
| CAS | 100-15-2 |
| UNII | J836WLV9BW |
| HMDB ID | HMDB0255170 |
| Wikidata | Q11234217 |
| ChEMBL ID | CHEMBL1329734 |
| UN Number | 1661 |
| NSC Number | NSC Number: NSC5390 |
| PubChem CID | 7483 |
| Nikkaji Number | J37.757K |
| DSSTox Substance ID | DTXSID7025635 |
| European Community (EC) Number | 202-823-2 |
| PubChem Reference Collection SID | 500807130 |
| MEP ID | _25Q1B3S4C |
physicochemical properties
| XLogP3 | 2 |
| Density | 1.201 at 311 °F (NTP, 1992) - Denser than water; will sink |
| Complexity | 136 |
| Exact Mass | 152.058577502 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Formal Charge | 0 |
| Melting Point | 306 °F (NTP, 1992) |
| Vapor Pressure | 0.00764 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Nitroanilines |
| Heavy Atom Count | 11 |
| Molecular Weight | 152.15 |
| Monoisotopic Mass | 152.058577502 |
| Isotope Atom Count | 0 |
| Physical Description | Brownish-yellow or yellow solid; [CAMEO] Yellow crystalline powder; [Alfa Aesar MSDS] |
| Rotatable Bond Count | 1 |
| Dissociation Constants | iupacpka |
| Kovats Retention Index | Standard non-polar: 1707 |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 57.9 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
DOT Label：
Poison
First Aid：
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)
Fire Hazards：
Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Fire Fighting：
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Health Hazards：
ACUTE/CHRONIC HAZARDS: When heated to decomposition this chemical emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive Group：
Amines, Aromatic
Adverse Effects：
Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Hazards Summary：
May cause irritation; [NTP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; May have cumulative adverse effects to organs; [Alfa Aesar MSDS] See p-Nitroaniline.
Reactivity Profile：
N-METHYL-4-NITROANILINE has a vigorous exothermic reaction with carbaryl sulfate when heated above 167 °F. (NTP, 1992)
Nonfire Spill Response：
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
Regulatory Information：
REACH Registered Substance: Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24168
Air and Water Reactions：
This chemical may be sensitive to prolonged exposure to air. Insoluble in water.
Isolation and Evacuation：
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)
Hazard Classes and Categories：
Aquatic Chronic 3 (17.9%)
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)
Production methods and uses
purpose
Industry Uses：
Stabilizing agent
General Manufacturing Information：
Industry Processing Sectors: All Other Chemical Product and Preparation Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-15-2 | N-Methyl-4-nitroaniline.pdf
