(1-benzyl-1H-imidazol-2-yl)acetonitrile

1-BENZYL-2-CYANOMETHYL IMIDAZOLE · 2-(1-benzylimidazol-2-yl)acetonitrile · 1- Benzyl -1H-imidazole-2-acetonitrile · (1-Benzyl-1H-imidazol-2-yl)acetonitrile · 2-(1-benzyl-1H-imidazol-2-yl)acetonitrile · 1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-

https://huagongshe.com/de/chemical/817477

Molekülstruktur von (1-benzyl-1H-imidazol-2-yl)acetonitrile

Identifikatoren & physikalische Daten

CAS No.	21125-22-4
Summenformel	C12H11N3
Durchschnittliche Molmasse	197,24 g/mol
Monoisotopische Masse	197,09529736 g/mol
SMILES	N#CCc1nccn1Cc1ccccc1
InChIKey	BMZHQSYXCWLVBE-UHFFFAOYSA-N
PubChem CID	817477
EC No.	101-519-6
DTXSID	DTXSID70355812

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	41,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	15
Formalladung	0
Komplexität	236
Siedepunkt	382.2±25.0 °C(Predicted)
Dichte	1.08±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	5.58±0.31(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)