N-Methyl-2-nitroanilin

Benzenamine, N-methyl-2-nitro-

HCID 69157CAS 612-28-2

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Grundinformationen

Standard-SMILES: CNc1ccccc1[N+](=O)[O-]
InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Namen und Bezeichner

Bevorzugter Name: Benzenamine, N-methyl-2-nitro-
IUPAC: N-methyl-2-nitroaniline
Lokaler Name: N-Methyl-2-nitroanilin
Englischer Name: N-Methyl-2-nitroaniline
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

N-Methyl-2-nitroaniline612-28-2N-Methyl-o-nitroanilineBenzenamine, N-methyl-2-nitro-o-Nitro-N-methylaniline2-Nitro-N-methylanilineo-(Methylamino)nitrobenzeneAniline, N-methyl-o-nitro-N-Methyl-2-nitrobenzenamineEINECS 210-303-1NSC 86672BRN 2209110

Weitere Namen anzeigen

Telmisartan Impurity V1-METHYL-2-NITROANILINEn-methyl-o-nitro-anilinTelmisartan Impurity 14o-Nitro-N-methyl aniline2-METHYLAMINONITROBENZENE

DTXSID4060608RefChem:561997DTXCID2042981210-303-1InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1HN-Methyl 2-nitroanilinemethyl(2-nitrophenyl)amineMFCD00007090

Datenbank-Bezeichner

CAS: 612-28-2
PubChem CID: 69157
DTXSID: DTXSID4060608
UNII: DT8RVN6PBT
EC Number: 210-303-1
Nikkaji: J95.688K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 57,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 144

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.18

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-38 °C (lit.)
Siedepunkt: 294.61 °C · 294.61°C (rough estimate)
Dichte: 1.2333 · 1.2333 (estimate)
Brechungsindex: 1.6276 · 1.6276 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Low-Melting Solid
pka: -0.49 · -0.49±0.25(Predicted)
Farbe: Orange to Red
InChI: 1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N
SMILES: CNc1ccccc1[N+]([O-])=O
LogP: 0.972 · 0.972
CAS Datenbank: 612 · 612-28-2(CAS DataBase Reference)
EPA chemische Informationen: -2 · Benzenamine, N-methyl-2-nitro- (612-28-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30005

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2811
RTECS-Nr.: BY5710000
risk_code: 23/24/25-33
hazard_code: T,Xi
safety_code: 36/37-45
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, N-methyl-2-nitro-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.