2-Bromo-4-fluoroaniline

HCID 242873CAS 1003-98-1

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Grundinformationen

Standard-SMILES: Nc1ccc(F)cc1Br
InChIKey: YLMFXCIATJJKQL-UHFFFAOYSA-N
Summenformel: C6H5BrFN
Durchschnittliche Molmasse: 190,01 g/mol
Monoisotopische Masse: 188,95893948

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-fluoroaniline
IUPAC: 2-bromo-4-fluoroaniline
Englischer Name: 2-Bromo-4-fluoroaniline
Summenformel: C6H5BrFN
Molmasse: 190.01

Namen und Synonyme

2-Bromo-4-fluoroanilineYLMFXCIATJJKQL-UHFFFAOYSA-DTXSID00287632RefChem:466543DTXCID00238780619-469-3InChI=1/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H21003-98-1BENZENAMINE, 2-BROMO-4-FLUORO-2-Bromo-4-fluorobenzenamine2-bromo-4-fluoro-anilineMFCD00042462

Weitere Namen anzeigen

2-BROMO-4-FLUORO-PHENYLAMINEBromofluoroaniline12-Bromo-4-fluoroanil4-FLUORO-2-BROMOANILINE2-Bromo-4-fluoroaniline99%2-Bromo-4-fluoroaniline >2-Bromo-4-fluoroaniline 99%2-BROMO-4-FLUOROANILINE 98+%2-Bromo-4-fluoroaniline, 95%

NSC518702-bromo-4-fluoro aniline2-bromo-4-fluoro-BenzenamineEN300-357182-Bromo-4-fluoroaniline, 97%NSC-51870B18292-bromo-4-fluorophenylamine

Datenbank-Bezeichner

CAS: 1003-98-1
PubChem CID: 242873
DTXSID: DTXSID00287632
EC Number: 619-469-3
Nikkaji: J1.175.423F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 41 · 41
Siedepunkt: 221 °C · 221 °C (lit.)
Dichte: 1.67 g/mL · 1.67 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.583(lit.)
Flammpunkt: 220 °F · 220 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.6 · 2.60±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow-brown
Wichte: 1.67 · 1.670
BRN: 2802562 · 2802562
InChI: InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey: YLMFXCIATJJKQL-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1Br
CAS Datenbank: 1003 · 1003-98-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (18.8%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (18.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN2810
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi,T
hazard_note: Toxic
safety_code: 26-37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-4-fluoroaniline is an organic compound that is an aniline derivative. It is mainly used as an organic synthesis reagent in experimental research.