N-Methyl-p-toluidin

Benzenamine, N,4-dimethyl-

HCID 12165CAS 623-08-5

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Grundinformationen

Standard-SMILES: CNc1ccc(C)cc1
InChIKey: QCIFLGSATTWUQJ-UHFFFAOYSA-N
Summenformel: C8H11N
Durchschnittliche Molmasse: 121,18 g/mol
Monoisotopische Masse: 121,08914935

Namen und Bezeichner

Bevorzugter Name: Benzenamine, N,4-dimethyl-
IUPAC: N,4-dimethylaniline
Lokaler Name: N-Methyl-p-toluidin
Englischer Name: N-METHYL-P-TOLUIDINE
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

N-Methyl-p-toluidine623-08-5Benzenamine, N,4-dimethyl-R9R0B2849PEINECS 210-769-6DTXSID6060763RefChem:561928DTXCID2043294210-769-6N,4-DIMETHYLANILINE4-Methyl-N-methylanilineN,p-Dimethylaniline

Weitere Namen anzeigen

N- methylp-toluene4,N-DIMETHYLANILINEN-METHYL-P-TOLUIDIN

p-Toluidine, N-methyl-p,N-Dimethylanilinep-methyl-N-methylanilineMFCD00025628aniline, N,4-dimethyl-4-(Methylamino)toluenen-methyl-p-methylanilineN,4-Dimethylbenzenamine

Datenbank-Bezeichner

CAS: 623-08-5
PubChem CID: 12165
DTXSID: DTXSID6060763
UNII: R9R0B2849P
EC Number: 210-769-6
Nikkaji: J2.090G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 72,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

LogP2.15

Physikochemische Eigenschaften

Schmelzpunkt: -10.08 °C · -10.08°C (estimate)
Siedepunkt: 212 °C · 212 °C(lit.)
Dichte: 0.958 g/mL · 0.958 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.557(lit.)
Flammpunkt: 183 °F · 183 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 5.26 · 5.26±0.12(Predicted)
Farbe: Colorless to Orange to Green
InChI: InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
InChIKey: QCIFLGSATTWUQJ-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(C)C=C1
CAS Datenbank: 623 · 623-08-5(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzenamine, N,4-dimethyl- (623-08-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301: 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)

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)

Gefahrenhinweise

Hazard Classes and Categories · 3 Einträge

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 2
hs_code: 29214300
risk_code: 23/24/25-33-52/53
hazard_code: T
safety_code: 28-36/37-45-61-28A
hazard_class: 6.1(a)
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2