Grundinformationen
- CAS
100-15-2- Standard-SMILES
CNc1ccc([N+](=O)[O-])cc1- InChIKey
XIFJZJPMHNUGRA-UHFFFAOYSA-N- Summenformel
- C7H8N2O2
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,0585775
Überblick
N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- N-Methyl-4-nitroaniline
- IUPAC
- N-methyl-4-nitroaniline
- Lokaler Name
- N-Methyl-4-nitroanilin
- Englischer Name
- N-Methyl-4-nitroaniline
- Summenformel
- C7H8N2O2
- Molmasse
- 152.15
Namen und Synonyme
N-Methyl-4-nitroaniline100-15-2Benzenamine, N-methyl-4-nitro-N-Methyl-p-nitroaniline4-Nitro-N-methylanilineN-Methyl-p-nitranilinep-Nitro-N-methylanilinep-(Methylamino)nitrobenzeneN-Monomethyl-p-nitroanilineAniline, N-methyl-p-nitro-N-METHYL-4-NITROBENZENAMINEmethyl(4-nitrophenyl)amine
Weitere Namen anzeigen
NitronanilineMethyl-4-nitroanilineN-methy-4-nitroanlineIntedanib Impurity 10Miglinide intermediate
DTXSID70256354-(Methylamino)nitrobenzeneJ836WLV9BWNSC-5390DTXCID605635RefChem:163712N-methyl-para-nitroaniline202-823-2
Datenbank-Bezeichner
- CAS
100-15-2- PubChem CID
- 7483
- DTXSID
DTXSID7025635- ChEMBL
CHEMBL1329734
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 57,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 136
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitroanilines
SpringerMaterials PropertiesDensity
LogP1.98
Density1.201 at 311 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point306 °F (NTP, 1992)
Vapor Pressure0.00764 [mmHg]
Physical Description
N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)
CBI
Brownish-yellow or yellow solid; [CAMEO] Yellow crystalline powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, N-methyl-4-nitro-
Benzenamine, N-methyl-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-methyl-4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-methyl-4-nitroaniline (EC: 202-823-2)
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation.
Hazards SummaryMay 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.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesStabilizing agent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzenamine, N-methyl-4-nitro-: ACTIVE
Anwendungen
VerwendenN-Methyl-4-nitroaniline is a versatile reactant used in the synthesis of oxindoles using Pd-catalyzed cyclization of chloroacetanilides.
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