Benzenamine, 4-fluoro-N-(1-methylethyl)-

FL-ANILINE · FI-Aniline · 4-Fluoro-N-isopropylaniline · N-(4-Fluorophenyl)isopropylamine · N-Isopropyl-4-fluoroaniline 95+% · 4-fluoro-N-isopropylbenzeneamine · (4-fluorophenyl) (prop-2-yl)amine · Fenobucarb Impurity 1 (Isoprocarb)

https://huagongshe.com/de/chemical/154403

Molekülstruktur von Benzenamine, 4-fluoro-N-(1-methylethyl)-

Identifikatoren & physikalische Daten

CAS No.	70441-63-3
Summenformel	C9H12FN
Durchschnittliche Molmasse	153,2 g/mol
Monoisotopische Masse	153,0953776 g/mol
SMILES	CC(C)Nc1ccc(F)cc1
InChIKey	RMXBOQCXULAXBO-UHFFFAOYSA-N
PubChem CID	154403
EC No.	448-100-7
DTXSID	DTXSID6074675

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	12
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	106
PFAS	PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
Siedepunkt	214℃
Dichte	1.045
Dampfdruck	0.1-0.9Pa at 20-50℃
Flammpunkt	83℃
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)	5.91±0.32(Predicted)
InChI	InChI=1S/C9H12FN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey	RMXBOQCXULAXBO-UHFFFAOYSA-N
SMILES	C1(NC(C)C)=CC=C(F)C=C1
LogP (Verteilungskoeffizient)	2.3 at 23℃ and pH5.59
Oberflächenspannung	56.68mN/m at 989.9mg/L and 20℃
EPA chemische Informationen	Benzenamine, 4-fluoro-N-(1-methylethyl)- (70441-63-3)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H331 (92.5%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	Status: Active Update: 13-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5456
Hazard Classes and Categories	Acute Tox. 3 (100%)Acute Tox. 4 (100%)
UN-Transportnummer	2810
Zollcode	2921490090
Gefahrenklasse	6.1(b)
Verpackungsgruppe	III

Anwendungen & Verwendung

Verwenden

4-Fluoro-N-isopropylaniline is an intermediate used in the synthesis of Flufenacet, a herbicide.