3-(Methylaminomethyl)benzonitrile

3-(methylaminomethyl · 3-Cyano-N-methylbenzylamine · N-Methyl-N-(3-cyanobenzyl)aMine · 3-(methylaminomethyl)benzonitrile · 3-(Methylaminomethyl)benzonitrile,95% · Benzonitrile, 3-[(methylamino)methyl]-

https://huagongshe.com/de/chemical/457595

Molekülstruktur von 3-(Methylaminomethyl)benzonitrile

Identifikatoren & physikalische Daten

CAS No.	90389-96-1
Summenformel	C9H10N2
Durchschnittliche Molmasse	146,19 g/mol
Monoisotopische Masse	146,08439832 g/mol
SMILES	CNCc1cccc(C#N)c1
InChIKey	KBRCDVSFCMVQSN-UHFFFAOYSA-N
PubChem CID	457595
ChEMBL	CHEMBL1178171
EC No.	834-683-9
DTXSID	DTXSID60238125

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	35,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	156
Siedepunkt	145°C/15mmHg(lit.)
Brechungsindex	1.5400 to 1.5440
Lagerbedingungen	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (50%)
UN-Transportnummer	UN 2922 8/6.1/PG II
Zollcode	2926907090
Gefahrenklasse	6.1
Verpackungsgruppe	II

Anwendungen & Verwendung

Verwenden

3-(Methylaminomethyl)benzonitrile is used as pharmaceutical intermediate.