1-Isothiocyanatonaphthalin

Bezeichnung:1-Isothiocyanatonaphthalin

CAS-Nr551-06-4

Englisch Name:1-Naphthyl isothiocyanate

CBNumberCB8696418

SummenformelC11H7NS

Molgewicht185.24

MOL-Datei551-06-4.mol

Synonyma

1-Naphthylisothiocyanat

1-Isothiocyanatonaphthalin

1-Isothiocyanatonaphthalin physikalisch-chemischer Eigenschaften

Schmelzpunkt	55.5-57 °C(lit.)
Siedepunkt	190 °C(Press: 20 Torr)
Dichte	1.1142 (rough estimate)
Brechungsindex	1.5500 (estimate)
storage temp.	2-8°C
Aggregatzustand	Fine Crystalline Powder
Farbe	Yellow
Wasserlöslichkeit	insoluble
Sensitive	Moisture Sensitive
Merck	14,6411
BRN	637868
Stabilität	Stable, but moisture sensitive. Incompatible with strong oxidizing agents.
InChI	1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKey	JBDOSUUXMYMWQH-UHFFFAOYSA-N
SMILES	S=C=Nc1cccc2ccccc12
CAS Datenbank	551-06-4(CAS DataBase Reference)
NIST chemische Informationen	Naphthalene, 1-isothiocyanato-(551-06-4)
EPA chemische Informationen	1-Naphthylisothiocyanate (551-06-4)

Sicherheit

Kennzeichnung gefährlicher	T
R-Sätze:	20/21-25-36/37/38-42-23/24/25
S-Sätze:	22-26-36/37-45-24/25
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS-Nr.	NX9100000
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	II
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 Resp. Sens. 1 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

1-Naphthyl isothiocyanate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R20/21:Gesundheitsschädlich beim Einatmen und bei Berührung mit der Haut.
R25:Giftig beim Verschlucken.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R42:Sensibilisierung durch Einatmen möglich.
R23/24/25:Giftig beim Einatmen, Verschlucken und Berührung mit der Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S24/25:Berührung mit den Augen und der Haut vermeiden.
Beschreibung
1-Napthylisothiocyanate is a toxic chemical that has been used to create experimental cholestasis in rodents. Laboratory studies have also shown that 1-napthylisothiocyanate can act as a chemoprotectant in rodents challenged with a tumorinducing agent such as phorbol-12 myristate 13-acetate.
Chemische Eigenschaften
white crystalline powder
Verwenden
1-Naphthyl isothiocyanate (NITC) can be used as a source of thiourea moiety to synthesize derivatives of calix[4]arenes to be used as anion acceptors. It can also be used for the synthesis of naphthyl substituted 1,2,4-triazoles and 1,3,4-thiadiazoles.
Verwenden
1-Naphthylisothiocyanate is used as an ingredient in insecticides. It is also found in cyanamide, which is used in many industrial applications. It is commonly used in medical and drug studies in animals as a model hepatotoxicant producing experimental cholestasis in rats and mice.
Verwenden
1-Naphthyl isothiocyanate is a tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function.
Definition
ChEBI: 1-naphthyl isothiocyanate is an isothiocyanate. It has a role as an insecticide. It derives from a hydride of a naphthalene.
Allgemeine Beschreibung
Odorless white needles or powder. Tasteless.
Air & Water Reaktionen
1-Naphthyl isothiocyanate is moisture sensitive. . Undergoes slow hydrolysis. Insoluble in water.
Reaktivität anzeigen
Isocyanates and thioisocyanates, such as 1-Naphthyl isothiocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Brandgefahr
Flash point data for 1-Naphthyl isothiocyanate is not available, but 1-Naphthyl isothiocyanate is probably combustible.
Environmental Fate
Naphthylisothiocyanate is moisture sensitive and insoluble in water. The hydrolysis rate is slow.
läuterung methode
Crystallise the isothiocyanate from hexane (1g in 9 mL). It forms white needles and is soluble in most organic solvents but is insoluble in H2O. It is absorbed through the skin and may cause dermatitis. [Cymmerman-Craig et al. Org Synth Coll Vol IV 700 1963, Beilstein 12 H 1244, 12 III 2948.]
Toxicity evaluation
1-Naphthylisothiocyanate causes separation of extracellular tight junctions that seal bile canaliculi, impairing bile formation. 1-Naphthylisothiocyanate inhibits microsomal drug-metabolizing activity. In rats, 1-naphthylisothiocyanteglutathione complex is formed in hepatocytes, then transported to the bile ducts, where it is released from the glutathione, and then selectively injures biliary epithelial cells, resulting in reduced bile flow.

1-Naphthyl isothiocyanate Upstream-Materialien And Downstream Produkte

1-Isothiocyanatonaphthalin Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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