4-tert-Butylphenyl Isothiocyanate

RARECHEM AQ A4 0120 · p-t-Butylphenyl Isothiocyanate · 4-t-Butylphenyl Isothiocyanate · 4-TERT-BUTYLPHENYL ISOTHIOCYANATE · 4-tert-ButylphenylIsothiocyanate>1-tert-Butyl-4-isothiocyanatobenzene · 4-tert-Butylphenyl isothiocyate, 99% · Isothiocyanic Acid 4-tert-Butylphenyl Ester · 1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

https://huagongshe.com/de/chemical/140503

Molekülstruktur von 4-tert-Butylphenyl Isothiocyanate

Identifikatoren & physikalische Daten

CAS No.	19241-24-8
Summenformel	C11H13NS
Durchschnittliche Molmasse	191,29 g/mol
Monoisotopische Masse	191,07687042 g/mol
SMILES	CC(C)(C)c1ccc(N=C=S)cc1
InChIKey	OCGNNCBNRBTUCG-UHFFFAOYSA-N
PubChem CID	140503
EC No.	671-011-1
DTXSID	DTXSID80172830

Chemische & physikalische Eigenschaften

XLogP	5,2
Polarare Oberfläche (TPSA)	44,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	203
Schmelzpunkt	42 °C
Siedepunkt	92 °C
Dichte	0.96±0.1 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,2-8°C
Aggregatzustand	powder to crystal
Farbe	White to Orange to Green
CAS Datenbank	19241-24-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H331 (50%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 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	2811
Zollcode	2930909899
R-Sätze (R)	20/21/22-36/37/38-43
Gefahrensymbole	T,Xi
Sicherheitshinweise (S)	26-36/37/39-36/37
Gefahrenklasse	KEEP COLD, LACHRYMATOR, TOXIC
Verpackungsgruppe	III