3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

Bezeichnung:3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

CAS-Nr23165-29-9

Englisch Name:3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

CBNumberCB3305740

SummenformelC9H3F6NS

Molgewicht271.18

MOL-Datei23165-29-9.mol

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE physikalisch-chemischer Eigenschaften

Schmelzpunkt	160℃
Siedepunkt	63 °C1.5 mm Hg(lit.)
Dichte	1.485 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.5(lit.)
Flammpunkt	228 °F
storage temp.	Storage temp. 2-8°C
Aggregatzustand	Liquid
Farbe	Clear yellow
Wichte	1.485
Wasserlöslichkeit	Hydrolyzes in water.
Sensitive	Moisture Sensitive
BRN	2990816
InChI	InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKey	FXOSSGVJGGNASE-UHFFFAOYSA-N
SMILES	C1(N=C=S)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS Datenbank	23165-29-9(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	C,T,Xi
R-Sätze:	34
S-Sätze:	22-26-27-36/37/39-45
RIDADR	2810
WGK Germany	3
Hazard Note	Toxic
HazardClass	6.1
PackingGroup	III
HS Code	29309090
Speicherklasse	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R34:Verursacht Verätzungen.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S27:Beschmutzte, getränkte Kleidung sofort ausziehen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
Chemische Eigenschaften
CLEAR YELLOW LIQUID
Verwenden
3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:
- Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
- Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
- Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
- Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.
Synthese

Synthesis of 3,5-bis(trifluoromethyl)phenyl isothiocyanate: 3,5-bis(trifluoromethyl)-4-chloroaniline (25.8g, 132.3mmol), triethylenediamine (44.46g, 396.9mmol) and 135mL toluene were added to a 250mL three-necked flask, and dissolved by stirring at room temperature. Then carbon disulfide (30.06 g, 396.9 mmol) was added dropwise within 2.0 h. After dropping, the reaction was held at 15-25C for 8-10 h. After the reaction was finished, filtration was carried out, and the filter cake was drenched with 20 mL of toluene once and dried, to obtain the yellowish powdery 3,5-bis(trifluoromethyl)-4-chloroaniline dithiocarbonate. The resulting 3-(trifluoromethyl)-4-chloroaniline dithiocarbonate was suspended in 200 mL of chloroform and cooled to -5-0 C with open stirring. Slowly add 60 mL of chloroform dissolved in solid phosgene [bis(trichloromethyl)carbonate, BTC] (12.43 g, 42.0 mmol) dropwise, after dropping, the reaction was carried out in an ice bath for 1 h, and then at room temperature for 1 h. Finally, the reaction was heated to reflux and kept warm for 1.5-2 h. After the reaction, the reaction was cooled down to room temperature, and insoluble material was removed by filtration, and the filtrate was distilled under reduced pressure to obtain 3,5-bis(trifluoromethyl)phenyl 3,5-Bis(trifluoromethyl)phenyl isothiocyanate crude product. After column chromatography (silica gel G, pure petroleum ether elution, concentrated under reduced pressure to obtain light yellow oily liquid 23.5g, purity: 99.6% (GC), bp: 248-251 , yield: 80.5%.

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Upstream-Materialien And Downstream Produkte

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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