2,6-Dimethyl-4-nitroaniline

HCID 28159CAS 16947-63-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cc([N+](=O)[O-])cc(C)c1N
InChIKey: NSBSVUUVECHDDX-UHFFFAOYSA-N
Summenformel: C8H10N2O2
Durchschnittliche Molmasse: 166,18 g/mol
Monoisotopische Masse: 166,07422757

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethyl-4-nitroaniline
IUPAC: 2,6-dimethyl-4-nitroaniline
Englischer Name: 2-6-Dimethyl-4-nitroaniline
Summenformel: C8H10N2O2
Molmasse: 166.18

Namen und Synonyme

2,6-dimethyl-4-nitroanilineRefChem:445686605-554-216947-63-0Benzenamine, 2,6-dimethyl-4-nitro-2,6-DIMETHYL-4-NITROBENZENAMINE2-6-DIMETHYL-4-NITROANILINEMFCD002110682,6-Dimethyl-4-nitro-aniline4-Nitro-2,6-xylidine2,6-Dimethyl-4-nitro-phenylamine2,6-DIMETHYL-4-NITROANALINE

Weitere Namen anzeigen

BENZENE DERIVATIVE(2,6-DIMETHYL-4-NITROANILINE)

2TW9QVR29NNSC-101580NSC101580Lidocaine Impurity 36UNII-2TW9QVR29N2,6-dimethyl-4nitroaniline2,6-Xylidine, 4-nitro-SCHEMBL3600387

Datenbank-Bezeichner

CAS: 16947-63-0
PubChem CID: 28159
DTXSID: DTXSID60168716
UNII: 2TW9QVR29N
EC Number: 605-554-2
Nikkaji: J141.323F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 166

Physikochemische Eigenschaften

Schmelzpunkt: 165 °C · 165 °C
Siedepunkt: 352.6 · 352.6±37.0 °C(Predicted)
Dichte: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
pka: 0.76 · 0.76±0.20(Predicted)
Farbe: Brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.