2-Nitro-4-(trifluormethyl)phenol

Bezeichnung:2-Nitro-4-(trifluormethyl)phenol

CAS-Nr400-99-7

Englisch Name:4-Hydroxy-3-nitrobenzotrifluoride

CBNumberCB2254964

SummenformelC7H4F3NO3

Molgewicht207.11

MOL-Datei400-99-7.mol

Synonyma

2-Nitro-4-(trifluormethyl)phenol

2-Nitro-4-(trifluormethyl)phenol physikalisch-chemischer Eigenschaften

Siedepunkt	92-94 °C12 mm Hg(lit.)
Dichte	1.473 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.504(lit.)
Flammpunkt	203 °F
storage temp.	Inert atmosphere,Room Temperature
pka	5.53±0.14(Predicted)
Aggregatzustand	Liquid
Farbe	Yellow to orange
BRN	2215510
InChI	1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey	XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F
CAS Datenbank	400-99-7(CAS DataBase Reference)
EPA chemische Informationen	Phenol, 2-nitro-4-(trifluoromethyl)- (400-99-7)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39-36
WGK Germany	3
RTECS-Nr.	GP2984950
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	29089990
Speicherklasse	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Toxizität	LD50 ipr-mus: 800 mg/kg JPMSAE 57,1763,68

Gefahreninformationscode (GHS)

4-Hydroxy-3-nitrobenzotrifluoride Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Verwenden
2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.
Allgemeine Beschreibung
2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.
Sicherheitsprofil
Moderately toxic byintraperitoneal route. When heated to decomposition itemits toxic vapors of NOx and Fí.
Synthese

139-07-1

121-17-5

400-99-7

Example 1: 400 mL of methanol, 20 g of dodecyldimethylbenzylammonium chloride and 180 g of 4-chloro-3-nitrobenzotrifluoride were added to a reaction flask with stirring turned on. Subsequently, 400 g of 50% sodium hydroxide solution was slowly added dropwise, with the dropwise acceleration controlled to raise the reaction temperature to 70°C in about 20 minutes. The reaction mixture was continued stirring at 65°C for 4 hours. Upon completion of the reaction, the mixture was cooled in an ice water bath and the pH was adjusted with concentrated hydrochloric acid to 3. 2-Nitro-4-trifluoromethylphenol was isolated by steam distillation, and about 50 mL of concentrated hydrochloric acid was added to the receiver to facilitate phase separation. After gas chromatographic analysis, 156 g of 2-nitro-4-trifluoromethylphenol was obtained with a purity of >98.5% and a yield of 91% of the theoretical value. The boiling point of the product was 92 °C-95 °C (15 mmHg) and the refractive index nD20 was 1.5020.
Einzelnachweise
[1] Patent: US4225731, 1980, A

4-Hydroxy-3-nitrobenzotrifluoride Upstream-Materialien And Downstream Produkte

2-Nitro-4-(trifluormethyl)phenol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

400-99-7, 4-Hydroxy-3-nitrobenzotrifluoride Verwandte Suche:

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