2-Bromo-6-fluoroaniline

HCID 2782940

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Grundinformationen

CAS: 65896-11-9
Standard-SMILES: Nc1c(F)cccc1Br
InChIKey: ALZFPYUPNVLVQM-UHFFFAOYSA-N
Summenformel: C6H5BrFN
Durchschnittliche Molmasse: 190,01 g/mol
Monoisotopische Masse: 188,95893948

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-6-fluoroaniline
IUPAC: 2-bromo-6-fluoroaniline
Englischer Name: 2-BROMO-6-FLUOROANILINE
Summenformel: C6H5BrFN
Molmasse: 190.01

Namen und Synonyme

2-Bromo-6-fluoroaniline65896-11-92-Bromo-6-fluorobenzenamineDTXSID30382366RefChem:467026DTXCID10333391464-930-2613-850-8Benzenamine, 2-bromo-6-fluoro-2-Bromo-6-fluoro-phenylamineMFCD013109822-BROMO-6-FLUORO ANILINE

Weitere Namen anzeigen

SKL340Vandetanib Impurity 5Letermovir Intermediate 12-Bromo-6-fluoroaniline,95%2-Bromo-6-fluoroaniline 99%2-Bromo-6-fluoroaniline >2-BroMo-6-fluoro-phenylaMine2-Bromo-6-fluoroaniline, 98+%

2-bromo-6-flouroanilineEN300-100611AKOS005064016AC-1579PS-84012-Bromo-6-fluoroaniline, >=98.0% (GC)B48032-bromo-6-fluorophenylamine

Datenbank-Bezeichner

CAS: 65896-11-9
PubChem CID: 2782940
DTXSID: DTXSID30382366
UNII: 29YHH5QL3Q
EC Number: 464-930-2、613-850-8
Nikkaji: J2.947.617I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
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

Siedepunkt: 211 · 211.0±20.0 °C(Predicted)
Dichte: 1.674 g/mL · 1.674 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.582(lit.)
Flammpunkt: 82 ° · 82°
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
pka: 1.15 · 1.15±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow to brown
BRN: 8541957 · 8541957
InChI: InChI=1S/C6H5BrFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: ALZFPYUPNVLVQM-UHFFFAOYSA-N
SMILES: C1(N)=C(F)C=CC=C1Br
CAS Datenbank: 65896 · 65896-11-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4579

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Skin Irrit. 2 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN2810
hs_code: 29214200
risk_code: 36/37/38
hazard_code: Xi,T
hazard_note: Toxic
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-BroMo-6-fluoroaniline is used for preparation of cycloalkylated benzothiadiazine derivatives and their use as AMPA receptor modulators.