4-(Aminomethyl)benzonitrile hydrochloride

HCID 9942250CAS 15996-76-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cl.N#Cc1ccc(CN)cc1
InChIKey: QREZLLYPLRPULF-UHFFFAOYSA-N
Summenformel: C8H9ClN2
Durchschnittliche Molmasse: 168,62 g/mol
Monoisotopische Masse: 168,045426

Namen und Bezeichner

Bevorzugter Name: 4-(Aminomethyl)benzonitrile hydrochloride
IUPAC: 4-(aminomethyl)benzonitrile;hydrochloride
Englischer Name: 4-(Aminomethyl)benzonitrile hydrochloride
Summenformel: C8H9ClN2
Molmasse: 168.62

Namen und Synonyme

4-(Aminomethyl)benzonitrile hydrochloride15996-76-6DTXSID90433101RefChem:288463DTXCID80383929677-095-64-Cyanobenzylamine hydrochloride4-Cyanobenzylamine HCL4-(aminomethyl)benzonitrile;hydrochlorideBenzonitrile, 4-(aminomethyl)-, hydrochloride (1:1)MFCD018614724-(Aminomethyl)benzonitrile hydrochloride, 97%

Weitere Namen anzeigen

4-CNBAM X HCL4-CyanobenzylaMine HCl Salt4-(AMINOMETHYL)BENZONITRILE HCLα-Amino-p-tolunitrile HydrochlorideALPHA-AMINO-P-TOLUNITRILE HYDROCHLORIDEp-(Aminomethyl)benzonitrile HydrochlorideBenzonitrile,4-(aminomethyl)-, hydrochloride4-(Aminomethyl)benzonitrile hydrochloride 97%

Benzonitrile, 4-(aminomethyl)-, monohydrochloride4-Aminomethyl-benzonitrile hydrochloride4-Cyanobenzyl amine HCl4-aminomethylbenzonitrile HClSCHEMBL154002p-cyanobenzylamine hydrochlorideorb29392584-cyano-benzyl amine hydrochloride

Datenbank-Bezeichner

CAS: 15996-76-6
PubChem CID: 9942250
DTXSID: DTXSID90433101
EC Number: 677-095-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 274 · 274-279 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: Off-White to Yellow
Wasserlöslichkeit: almost transparency
InChI: 1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H
InChIKey: QREZLLYPLRPULF-UHFFFAOYSA-N
SMILES: Cl[H].NCc1ccc(cc1)C#N
CAS Datenbank: 15996 · 15996-76-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29269090
risk_code: 20/21/22-36/37/38-22
safety_code: 22-24/25-36/37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Aminomethyl)benzonitrile hydrochloride can be used in the synthesis of fluorescent-labeled bisbenzamidine, which can be a biochemical tool in biomedical studies. It can also be used in the synthesis of 3-(p-benzylamino)-1,2,4,5 tetrazine, used in the modification of alginate hydrogels, employed in cell engineering applications.