4-Fluorbenzonitril

Bezeichnung:4-Fluorbenzonitril

CAS-Nr1194-02-1

Englisch Name:4-Fluorobenzonitrile

CBNumberCB5200760

SummenformelC7H4FN

Molgewicht121.11

MOL-Datei1194-02-1.mol

Synonyma

4-Fluorbenzonitril

4-Fluorbenzonitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	32-34 °C (lit.)
Siedepunkt	188 °C/750 mmHg (lit.)
Dichte	1.1070
Brechungsindex	1.4925
Flammpunkt	150 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	soluble in Chloroform, Ethyl Acetate
Aggregatzustand	Crystalline Low Melting Solid
Farbe	White
Wasserlöslichkeit	Insoluble in water.
BRN	2041517
Expositionsgrenzwerte	NIOSH: IDLH 25 mg/m3
InChI	1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey	AEKVBBNGWBBYLL-UHFFFAOYSA-N
SMILES	Fc1ccc(cc1)C#N
CAS Datenbank	1194-02-1(CAS DataBase Reference)
NIST chemische Informationen	Benzonitrile, 4-fluoro-(1194-02-1)
EPA chemische Informationen	4-Fluorobenzonitrile (1194-02-1)

Sicherheit

Kennzeichnung gefährlicher	Xn,T,Xi
R-Sätze:	20/21/22-36/37/38
S-Sätze:	36/37-36/37/39-26-36
RIDADR	UN 1325
WGK Germany	3
RTECS-Nr.	DI4368500
Hazard Note	Toxic
TSCA	TSCA listed
HazardClass	4.1
PackingGroup	Ⅱ
HS Code	29269095
Speicherklasse	4.1B - Flammable solid hazardous materials
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Flam. Sol. 1
Toxizität	mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),Farmaco, Edizione Scientifica. Vol. 41, Pg. 41, 1986.

Gefahreninformationscode (GHS)

4-Fluorobenzonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R20/21/22:Gesundheitsschädlich beim Einatmen,Verschlucken und Berührung mit der Haut.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
white crystalline low melting solid
Verwenden
4-Fluorobenzonitrile is used as chemical intermediate, solvent for perfumes and pharmaceuticals, stabilizer for chlorinated solvents, HPLC analysis, catalyst and component of transition-metal complex catalysts.
Verwenden
4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists.
Definition
ChEBI: 4-Fluorobenzonitrile is a member of benzenes and a nitrile.
Application
The application of 4-Fluorobenzonitrile in medicinal chemistry has proven valuable, particularly in the design of novel drug candidates that target specific biological pathways. Additionally, 4-Fluorobenzonitrile is employed in the production of dyes and pigments, offering vibrant colors and improved performance in various formulations.
Allgemeine Beschreibung
4-Fluorobenzonitrile undergoes metal-mediated coupling to yield eight-membered thorium(IV) tetraazamacrocycle. It undergoes condensation with diphenylamine to yield monomer 4-cyanotriphenylamine.
Synthese
4-Fluorobenzonitrile is synthesised using 4-Fluorobenzyl alcohol as raw material by chemical reaction. The specific synthesis steps are as follows:
With respect to 2 mmol of each alcohol represented by the general formula (1), 4 ml of CH2Cl2 as a solvent, 0.05 equivalent of TEMPO as an N-nitrosyl compound, (A) t-BuOCl, (B) I 2 or (C ) N, N'-diiodo-5,5-dimethylhydantoin (DIH) were mixed in a predetermined amount and stirred for a predetermined time at room temperature.Next, 1.5 equivalents of I 2 and 4 ml of aqueous ammonia were added, and the mixture was stirred at room temperature for 2 hours.
Filter für giftige stoffe
The screening level is calculated assuming the mouse LD50 was 300 mg/kg and use of the equation from R232(1)(h), as follows. The initial threshold screening level (ITSL) for 4-Fiuorobenzonitrile is 0.5 μg/m3 annual averaging time.

4-Fluorobenzonitrile Upstream-Materialien And Downstream Produkte

4-Fluorbenzonitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1194-02-1, 4-Fluorobenzonitrile Verwandte Suche:

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