Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

AKOS B004237 · 4-Cyano-2,6-di-tert-butylphenol · 2,6-Bis(tert-butyl)-4-cyanophenol · 3,5-DI-T-BUTYL-4-HYDROXYBENZONITRILE · 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE · 3,5-Bis(tert-butyl)-4-hydroxybenzonitrile · Benzonitrile, 3,5-di-tert-butyl-4-hydroxy- · 3,5-Bis(tert-butyl)-4-hydroxybenzonitrile 97%

https://huagongshe.com/de/chemical/137274

Molekülstruktur von Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Identifikatoren & physikalische Daten

CAS No.	1988-88-1
Summenformel	C15H21NO
Durchschnittliche Molmasse	231,33 g/mol
Monoisotopische Masse	231,16231429 g/mol
SMILES	CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O
InChIKey	AKXIIOLURNATOC-UHFFFAOYSA-N
PubChem CID	137274
ChEMBL	CHEMBL225219
EC No.	678-672-5
DTXSID	DTXSID90173636

Chemische & physikalische Eigenschaften

XLogP	4,6
Polarare Oberfläche (TPSA)	44
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	17
Formalladung	0
Komplexität	288
Schmelzpunkt	144 °C
Aggregatzustand	crystalline powder
Farbe	Light yellow
CAS Datenbank	1988-88-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
UN-Transportnummer	3276
Zollcode	2926907090
R-Sätze (R)	20/21/22-36/37/38
Sicherheitshinweise (S)	26-36/37/39-45
Gefahrenklasse	6.1
Verpackungsgruppe	III