2,6-Difluorbenzamid

Bezeichnung:2,6-Difluorbenzamid

CAS-Nr18063-03-1

Englisch Name:2,6-Difluorobenzamide

CBNumberCB5376515

SummenformelC7H5F2NO

Molgewicht157.12

MOL-Datei18063-03-1.mol

Synonyma

2,6-Difluorbenzamid

2,6-Difluorbenzamid physikalisch-chemischer Eigenschaften

Schmelzpunkt	145-148 °C (lit.)
Siedepunkt	51-52C/15Tor
Dichte	1,199g/cm
Brechungsindex	1,508
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	ethanol: soluble5%, clear to turbid, colorless to light yellow
pka	14.54±0.50(Predicted)
Aggregatzustand	Solid
Farbe	Off-White
BRN	2047480
InChI	1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey	AVRQBXVUUXHRMY-UHFFFAOYSA-N
SMILES	NC(=O)c1c(F)cccc1F
LogP	0.011-0.25 at 25℃
CAS Datenbank	18063-03-1(CAS DataBase Reference)
NIST chemische Informationen	Benzamide, 2,6-difluoro-(18063-03-1)
EPA chemische Informationen	Benzamide, 2,6-difluoro- (18063-03-1)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-20
S-Sätze:	26-37/39-36/37
WGK Germany	1
RTECS-Nr.	CV4355050
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	29242990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral
Toxizität	rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293,

Gefahreninformationscode (GHS)

2,6-Difluorobenzamide Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R20:Gesundheitsschädlich beim Einatmen.
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.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Beschreibung
2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
Beschreibung
2,6-Difluorobenzamide is a white powdery crystal, insoluble in water. It can be obtained by hydrolysis of 2,6-difluorobenzonitrile. 2,6-Difluorobenzamide is an important intermediate in the synthesis process of benzoylurea insecticides, which is used to synthesize the next intermediate 2,6-difluorobenzoyl isocyanate, and finally obtain flubolurea, pyruron, fluridin, lice mite urea and other pesticide varieties. It can also be directly used to synthesize pyruron and flubolea. 2,6-Difluorobenzamide can inhibit the bacterial cell division protein FtsZ[1].
Chemische Eigenschaften
white to yellowish powder
Verwenden
2,6-Difluorobenzamide (CAS# 18063-03-1) is a useful building block used in the synthesis of (E)-3-methyleneisoindolin-1-ones via oxidative annulation acrylates. It is also used in the synthesis of pesticide intermediates, which can be used to produce various insecticides such as fluazuron, chlorpyrifos, and pyrethroids.
synthetische
2,6-Difluorobenzamide is obtained by hydrolysis of 2,6-difluorobenzonitrile.
Synthese

1897-52-5

18063-03-1

General procedure for the synthesis of 2,6-difluorobenzamide from 2,6-difluorobenzonitrile: (1) 100 g (0.72 mol) of 2,6-difluorobenzonitrile was added slowly and dropwise to a mixed solution of 240 g of concentrated sulfuric acid and 24 ml of water at room temperature. The reaction mixture was stirred at 80°C to 85°C for 12 hours. After completion of the reaction, the mixture was slowly poured into 1.2 kg of ice water and stirred continuously for 30 minutes, followed by filtration. The resulting crystals were washed to neutrality with distilled water and finally dried under vacuum at 85°C. The yield was 91.0 g (80.6% yield) with a melting point of 140°C to 141.5°C.
Filter für giftige stoffe
The Initial Threshold Screening Level (ITSL) for 2,6-Difluorobenzamide is 11 μg/m3 based on an annual averaging time.
Einzelnachweise
[1] Straniero V, et al. 2,6-Difluorobenzamide inhibitors of the bacterial cell division protein FtsZ: design, synthesis and Structure Activity Relationship study. ChemMedChem, 2017; 12: 1303-1318.

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