4-Bromo-2,6-difluoroaniline

HCID 610191CAS 67567-26-4

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Grundinformationen

Standard-SMILES: Nc1c(F)cc(Br)cc1F
InChIKey: BFQSQUAVMNHOEF-UHFFFAOYSA-N
Summenformel: C6H4BrF2N
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,94951767

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-difluoroaniline
IUPAC: 4-bromo-2,6-difluoroaniline
Englischer Name: 4-Bromo-2,6-difluoroaniline
Summenformel: C6H4BrF2N
Molmasse: 208

Namen und Synonyme

4-Bromo-2,6-difluoroaniline67567-26-4DTXSID60346178RefChem:519146DTXCID00297251642-485-72,6-Difluoro-4-bromoaniline4-Bromo-2,6-difluorobenzenamineMFCD00013389BENZENAMINE, 4-BROMO-2,6-DIFLUORO-(4-bromo-2,6-difluorophenyl)amine4-bromo-2,6-difluoro-aniline

Weitere Namen anzeigen

BUTTPARK 22\07-66Abesili impurity 104-Bromo-2,6-difluoro4-Bromo-2, 6-difluoroan2,6-difluro-4-broMoanilineBFQSQUAVMNHOEF-UHFFFAOYSA-N4-Bromo-2,6-diflaoroaniline

SCHEMBL580964-bromo-2,6-difluorophenylamine4-Bromo-2,6-difluoroaniline, 98%AC-3648AS-8191EN300-83060Z1238548705Vandetanib Impurity 8

Datenbank-Bezeichner

CAS: 67567-26-4
PubChem CID: 610191
DTXSID: DTXSID60346178
ChEMBL: CHEMBL4957737
UNII: RL8Q79UBB6
EC Number: 642-485-7
Nikkaji: J2.651.241G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 63 · 63-65 °C (lit.)
Siedepunkt: 188.2 · 188.2±35.0 °C(Predicted)
Dichte: 1.788 · 1.788±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 1.11 · 1.11±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Brown
InChI: InChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey: BFQSQUAVMNHOEF-UHFFFAOYSA-N
SMILES: C1(N)=C(F)C=C(Br)C=C1F
CAS Datenbank: 67567 · 67567-26-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (95.9%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29214200
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39-22
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-Bromo-2,6-difluoroaniline is a polyfunctional aniline derivative bearing a bromine atom at the para-position and two fluorine atoms at the ortho-positions. Its functional groups render this compound relatively reactive, enabling participation in substitution, displacement, and condensation coupling reaction systems. It finds extensive application within the field of organic synthesis. Furthermore, conjugated quasi-planar triphenylamines synthesised from 4-bromo-2,6-difluoroaniline serve as hole-transporting materials in perovskite solar cells and organic light-emitting diodes (OLEDs).

Verwenden4-Bromo-2,6-difluoroaniline is used in the preparation of potent, VEGF receptor tyrosine kinase inhibitors.