N-Phenyl-m-toluidin

N-(3-Methylphenyl)aniline

HCID 14569

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Grundinformationen

CAS: 1205-64-7
Standard-SMILES: Cc1cccc(Nc2ccccc2)c1
InChIKey: TWPMMLHBHPYSMT-UHFFFAOYSA-N
Summenformel: C13H13N
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,10479942

Namen und Bezeichner

Bevorzugter Name: N-(3-Methylphenyl)aniline
IUPAC: 3-methyl-N-phenylaniline
Lokaler Name: N-Phenyl-m-toluidin
Englischer Name: 3-Methyldiphenylamine
Summenformel: C13H13N
Molmasse: 183.25

Namen und Synonyme

3-METHYLDIPHENYLAMINE1205-64-73-methyl-N-phenylanilineN-Phenyl-m-toluidineBenzenamine, 3-methyl-N-phenyl-N-Phenyl-3-methylanilineN-(3-Methylphenyl)aniline(3-methylphenyl)phenylamine3-Methyl-N-phenylbenzenamineDTXSID9044790phenyl-m-tolylamineN-(3-Methylphenyl)-N-phenylamine

Weitere Namen anzeigen

MDAMDA(+/-)-MDAN-PHENYL-M-3-Methyldianiline3-two MethylanilinePhenyl-m-tolyl-amine

EINECS 214-885-8N-PHENYL-3-TOLUIDINEM-TOLUIDINE, N-PHENYL-7597YZ9367DTXCID7024790TWPMMLHBHPYSMT-UHFFFAOYSA-RefChem:826697214-885-8

Datenbank-Bezeichner

CAS: 1205-64-7
PubChem CID: 14569
DTXSID: DTXSID9044790
ChEMBL: CHEMBL1339734
UNII: 7597YZ9367
EC Number: 214-885-8
Nikkaji: J29.921I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Collision Cross Section143.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9044790]

Physikochemische Eigenschaften

Schmelzpunkt: 30 °C · 30 °C
Siedepunkt: 315 °C/724 · 315 °C/724 mmHg (lit.)
Dichte: 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.635(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 0.97 · 0.97±0.30(Predicted)
Farbe: Colorless to Yellow to Orange
InChI: InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKey: TWPMMLHBHPYSMT-UHFFFAOYSA-N
SMILES: C1(NC2=CC=CC=C2)=CC=CC(C)=C1
CAS Datenbank: 1205 · 1205-64-7(CAS DataBase Reference)
EPA chemische Informationen: -3 · N-Phenyl-3-methylaniline (1205-64-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 3-methyl-N-phenyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-methyldiphenylamine and its derivatives are widely used in the OLED devices as an organic semiconductor. Organic and polymer photovoltaics have the potential to become a flexible low-cost alternative to inorganic semiconductor-based photovoltaics[1].