2,6-Difluorbenzamid
2,6-Difluorobenzamide
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Grundinformationen
- CAS
18063-03-1- Standard-SMILES
NC(=O)c1c(F)cccc1F- InChIKey
AVRQBXVUUXHRMY-UHFFFAOYSA-N- Summenformel
- C7H5F2NO
- Durchschnittliche Molmasse
- 157,12 g/mol
- Monoisotopische Masse
- 157,03392022
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Difluorobenzamide
- IUPAC
- 2,6-difluorobenzamide
- Lokaler Name
- 2,6-Difluorbenzamid
- Englischer Name
- 2,6-Difluorobenzamide
- Summenformel
- C7H5F2NO
- Molmasse
- 157.12
Namen und Synonyme
2,6-Difluorobenzamide18063-03-1Benzamide, 2,6-difluoro-SJ2RN214MKDTXSID4073417RefChem:445557DTXCID6035734241-972-8MFCD000079722,6-difluorobenzoic amideUNII-SJ2RN214MKEC 241-972-8
Weitere Namen anzeigen
2,6-difluorobenzoic acid amideuorobenzamideCompound Fr139742,6-Difluorbenzamid2,6-difluoro-benzamid2，6-difluorobenzaminde2,6-Difluorobenzoamide2,6-Difluorobenzoylamide2,6-Difluorobenzamide97%
CK1202PS-8830SB67309Z1044761382,6-difluoro benzamideEINECS 241-972-8Benzamide, 2,6-difluoro-; 2,6-Difluorobenzamide; Lufenuron Imp. A (EP)2,6 difluorobenzamide
Datenbank-Bezeichner
- CAS
18063-03-1- PubChem CID
- 87439
- DTXSID
DTXSID4073417- UNII
- SJ2RN214MK
- EC Number
- 241-972-8
- Nikkaji
- J43.076E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 153
Experimentelle und physikochemische Eigenschaften
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.25
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-148 °C (lit.)
- Siedepunkt
- 51 · 51-52C/15Tor
- Dichte
- 1 · 1,199g/cm
- Brechungsindex
- 1 · 1,508
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 5 %, · ethanol: soluble5%, clear to turbid, colorless to light yellow
- Aggregatzustand
- Solid
- pka
- 14.54 · 14.54±0.50(Predicted)
- Farbe
- Off-White
- BRN
- 2047480 · 2047480
- InChI
- 1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 21.5% (56 of 260) of reports.
Warning
H302 (42.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 260 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzamide, 2,6-difluoro-
Commission Regulation No 844/2012
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 13-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5759
Hazard Classes and CategoriesAcute Tox. 4 (42.7%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29242990
- RTECS-Nr.
- CV4355050
- risk_code
- 36/37/38-20
- Toxizität
- rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293,
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37
- hazard_class
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzamide, 2,6-difluoro-: ACTIVE
Anwendungen
Beschreibung2,6-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].
Beschreibung2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
Verwenden2,6-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.
Darstellung
synthetische2,6-Difluorobenzamide is obtained by hydrolysis of 2,6-difluorobenzonitrile.
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