4-Chlor-N-methylanilin

4-Chloro-N-methylbenzenamine

HCID 70272CAS 932-96-7

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Grundinformationen

Standard-SMILES: CNc1ccc(Cl)cc1
InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N
Summenformel: C7H8ClN
Durchschnittliche Molmasse: 141,6 g/mol
Monoisotopische Masse: 141,03452694

Überblick

RN given refers to parent cpd; structure

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-N-methylbenzenamine
IUPAC: 4-chloro-N-methylaniline
Lokaler Name: 4-Chlor-N-methylanilin
Englischer Name: 4-Chloro-N-methylaniline
Summenformel: C7H8ClN
Molmasse: 141.6

Namen und Synonyme

4-Chloro-N-methylaniline932-96-7p-Chloro-N-methylanilineN-Methyl-p-chloroanilineBenzenamine, 4-chloro-N-methyl-4-Chloro-N-methylbenzenamine2IXY9JA2P8DTXSID80239331RefChem:98535DTXCID00161822213-262-8N-Methyl-4-chloroaniline

Weitere Namen anzeigen

4-CHLORO-N-TOLUIDINECHLORO-N-METHYLANILINEp-chloro-n-methyl-anilinMethyl(4-chlorophenyl)amine

N-(p-Chlorobenzyl)methylamineAniline, p-chloro-N-methyl-N-(4-Chlorophenyl)-N-methylaminep-(Methylamino)chlorobenzeneMFCD00000614n-(4-chlorophenyl)methylamineCCRIS 2889EINECS 213-262-8

Datenbank-Bezeichner

CAS: 932-96-7
PubChem CID: 70272
DTXSID: DTXSID80239331
UNII: 2IXY9JA2P8
EC Number: 213-262-8
Nikkaji: J28.357F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 239 °C · 239 °C (lit.)
Dichte: 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.584(lit.)
Flammpunkt: 125 °F · 125 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1 · pK1: 3.9(+1) (25°C)
Aggregatzustand: liquid
BRN: 2205846 · 2205846
InChI: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(Cl)C=C1
CAS Datenbank: 932 · 932-96-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-chloro-N-methyl-(932-96-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.