2,6-Difluoranilin
2,6-Difluoroaniline
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Grundinformationen
- CAS
5509-65-9- Standard-SMILES
Nc1c(F)cccc1F- InChIKey
ODUZJBKKYBQIBX-UHFFFAOYSA-N- Summenformel
- C6H5F2N
- Durchschnittliche Molmasse
- 129,11 g/mol
- Monoisotopische Masse
- 129,0390056
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Difluoroaniline
- IUPAC
- 2,6-difluoroaniline
- Lokaler Name
- 2,6-Difluoranilin
- Englischer Name
- 2,6-Difluoroaniline
- Summenformel
- C6H5F2N
- Molmasse
- 129.11
Namen und Synonyme
2,6-Difluoroaniline5509-65-9Benzenamine, 2,6-difluoro-2,6-DIFLUOROBENZENAMINEEINECS 226-853-0NSC 127234NSC-127234943G3H8895DTXSID2073350RefChem:83226DTXCID7041835226-853-0
Weitere Namen anzeigen
2,6-Difuluoroaniline2,6-DifluorophenylaMine2,6-DifluorobenzeneaMine26DFAJACS-5509-65-96-DifluoroanilineAbesili Impurity 8
InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9HODUZJBKKYBQIBX-UHFFFAOYSA-N2,6-Difluoro-phenylamineMFCD000076552,6-Difluorobenzenamine; 2,6-Difluorobenzeneamine; 2,6-Difluorophenylamine; NSC 127234;NSC1272342,6 difluoroaniline2,6-diflouroaniline
Datenbank-Bezeichner
- CAS
5509-65-9- PubChem CID
- 79647
- DTXSID
DTXSID2073350- UNII
- 943G3H8895
- EC Number
- 226-853-0
- Nikkaji
- J1.837F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 87,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSchoenflies notation
LogP1.61
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 51 · 51-52 °C/15 mmHg (lit.)
- Dichte
- 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.508(lit.)
- Flammpunkt
- 110 °F · 110 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- pka
- 1.81 · 1.81±0.10(Predicted)
- Wichte
- 1.28 · 1.28
- Farbe
- Clear yellow to brown
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 133 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2,6-difluoro-
Benzenamine, 2,6-difluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-difluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2921420090
- risk_code
- 10-20/21/22-36/37/38
- hazard_code
- Xn,Xi,F
- hazard_note
- Irritant
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Petrochemical Manufacturing
Benzenamine, 2,6-difluoro-: ACTIVE
Anwendungen
Verwenden2,6-Difluoroaniline is an important chemical in the sythesis technology for high-efficiency insecticide.
Verwenden2,6-Difluoroaniline and several related primary amines are oxidized in chloroform by peroxybenzoic acid to the corresponding nitroso compounds. For example, treatment of 2,6-difluoroaniline with sodium azide can obtain 4-fluoro-2,1,3-benzoxadiazole, and the product is nitrified to obtain 7-nitro derivatives[1]. 2,6-Difluoroaniline is an important raw material and intermediate in organic synthesis, medicine, pesticides, dyes and other fields.
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