Grundinformationen
- CAS
578-46-1- Standard-SMILES
Cc1ccc([N+](=O)[O-])c(N)c1- InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N- Summenformel
- C7H8N2O2
- Durchschnittliche Molmasse
- 152,15 g/mol
- Monoisotopische Masse
- 152,0585775
Überblick
5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 6-Nitro-m-toluidine
- IUPAC
- 5-methyl-2-nitroaniline
- Lokaler Name
- 5-Methyl-2-nitroanilin
- Englischer Name
- 5-Methyl-2-nitroaniline
- Summenformel
- C7H8N2O2
- Molmasse
- 152.15
Namen und Synonyme
5-Methyl-2-nitroaniline578-46-13-AMINO-4-NITROTOLUENE6-Nitro-m-toluidineBenzenamine, 5-methyl-2-nitro-m-Toluidine, 6-nitro-Benzenamine, 3-methyl-6-nitro-5-Methyl-o-nitroanilineDTXSID2025634EINECS 209-423-7NSC 28586BRN 2691416
Weitere Namen anzeigen
6-nitro-m-toluidinLABOTEST-BB LTBB0006303-methyl-6-nitro-benzenamin5-Methyl-2-nitrophenylamine
YY17U389O6NSC-285864-12-00-01861 (Beilstein Handbook Reference)DTXCID2056343-METHYL-6-NITROANILINE2-nitro-5-methylanilineRefChem:5440954-NITRO-3-AMINOTOLUENE
Datenbank-Bezeichner
- CAS
578-46-1- PubChem CID
- 11356
- DTXSID
DTXSID2025634- ChEMBL
CHEMBL278016- UNII
- YY17U389O6
- EC Number
- 209-423-7
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 71,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 155
Experimentelle und physikochemische Eigenschaften
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point234 °F (NTP, 1992)
Physical Description5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
Physikochemische Eigenschaften
- Schmelzpunkt
- 110 · 110-111 °C (lit.)
- Siedepunkt
- 312.4 · 312.4±22.0 °C(Predicted)
- Dichte
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- powder
- pka
- 0.03 · 0.03±0.25(Predicted)
- BRN
- 2691416 · 2691416
- InChI
- 1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
- InChIKey
- IGDYNWKWXUCIJB-UHFFFAOYSA-N
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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
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 may include irritation. Structurally similar chemicals may cause methemoglobinemia. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile5-METHYL-2-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers (NTP, 1992).
Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheit und Schutzausrüstung
Chemie und Industrie
Anwendungen
Verwenden5-Methyl-2-nitroaniline has been used in the preparation of N-(5-methyl-2-nitrophenyl)-4-[N-(pyridin-3-ylmethoxy carbonyl)aminomethyl]benzamide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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