4-Chlorbenzylmethylamin

Benzenemethanamine, 4-chloro-N-methyl-

HCID 66905

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 104-11-0
Standard-SMILES: CNCc1ccc(Cl)cc1
InChIKey: LMBUJNXYGGNSAH-UHFFFAOYSA-N
Summenformel: C8H10ClN
Durchschnittliche Molmasse: 155,62 g/mol
Monoisotopische Masse: 155,050177

Namen und Bezeichner

Bevorzugter Name: Benzenemethanamine, 4-chloro-N-methyl-
IUPAC: 1-(4-chlorophenyl)-N-methylmethanamine
Lokaler Name: 4-Chlorbenzylmethylamin
Englischer Name: (4-Chloro-benzyl)-methyl-amine
Summenformel: C8H10ClN
Molmasse: 155.62

Namen und Synonyme

104-11-0Benzenemethanamine, 4-chloro-N-methyl-4-ChlorobenzylmethylamineEINECS 203-175-3DTXSID0059291RefChem:563291DTXCID8032839203-175-31-(4-chlorophenyl)-N-methylmethanamineN-Methyl-4-chlorobenzylamineN-(4-chlorobenzyl)-N-methylamine(4-Chloro-benzyl)-methyl-amine

Weitere Namen anzeigen

AKOS BC-2745TIMTEC-BB SBB010371(4-CHLORO-BENZYL)-MEN-METHYL-P-CHLOROBENZYLAMINE-(4-CHLOROBENZYL)-N-METHYLAMINE

4-Chloro-N-methylbenzylamine(4-Chlorobenzyl)methylamine[(4-chlorophenyl)methyl](methyl)amineMFCD00018749p-chloro-n-methylbenzylamine1-(4-chlorophenyl)-N-methyl-methanamineEN300-07492[(4-chlorophenyl)methyl]methylamine

Datenbank-Bezeichner

CAS: 104-11-0
PubChem CID: 66905
DTXSID: DTXSID0059291
ChEMBL: CHEMBL1178166
ChEBI: CHEBI:194996
EC Number: 203-175-3
Nikkaji: J182.177F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1215.1

Physikochemische Eigenschaften

Siedepunkt: 77 °C · 77 °C
Dichte: 1.088 · 1.088±0.06 g/cm3(Predicted)
Brechungsindex: 1.538 to · 1.5380 to 1.5420
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 9.5 · 9.50±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
EPA chemische Informationen: 4 · Benzenemethanamine, 4-chloro-N-methyl- (104-11-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.