4-Bromo-2,3,5,6-tetrafluoroaniline

HCID 618671CAS 1998-66-9

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Grundinformationen

Standard-SMILES: Nc1c(F)c(F)c(Br)c(F)c1F
InChIKey: LZUYSMHNMFCPBF-UHFFFAOYSA-N
Summenformel: C6H2BrF4N
Durchschnittliche Molmasse: 243,98 g/mol
Monoisotopische Masse: 242,93067404

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,3,5,6-tetrafluoroaniline
IUPAC: 4-bromo-2,3,5,6-tetrafluoroaniline
Englischer Name: 4-BROMO-2,3,5,6-TETRAFLUOROANILINE
Summenformel: C6H2BrF4N
Molmasse: 243.98

Namen und Synonyme

4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-9DTXSID80347182RefChem:98017DTXCID10298254627-662-9LZUYSMHNMFCPBF-UHFFFAOYSA-N4-BromotetrafluoroanilineMFCD00012144Benzenamine, 4-bromo-2,3,5,6-tetrafluoro-2,3,5,6-Tetrafluoro-4-bromoaniline4-bromo-2,3,5,6-tetrafluorobenzenamine

Weitere Namen anzeigen

4-bromo-N,N,2,3-tetrafluoroaniline4-Bromo-2,3,5,6-tetrafluoroaniline98%4-Bromo-2,3,5,6-tetrafluoroaniline 98%4-Bromo-2,3,5,6-tetrafluoraniline, 98%4-BROMO-2,3,5,6-TETRAFLUOROANILINE ISO 9001：2015 REACH

SCHEMBL1335611AKOS0037910364-bromo-2,3,5,6-tetrafluoro-anilinePS-10128CS-01207474-bromo-2,3,5,6-tetrafluorophenylamineAMY14413FT-0617730

Datenbank-Bezeichner

CAS: 1998-66-9
PubChem CID: 618671
DTXSID: DTXSID80347182
EC Number: 627-662-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 154

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-61 °C (lit.)
Siedepunkt: 104 · 104-106 °C(Press: 15 Torr)
Dichte: 1.955 · 1.955±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: -0.92 · -0.92±0.10(Predicted)
Farbe: Pale beige
InChI: InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey: LZUYSMHNMFCPBF-UHFFFAOYSA-N
SMILES: C1(N)=C(F)C(F)=C(Br)C(F)=C1F
CAS Datenbank: 1998 · 1998-66-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2921420090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3