CAS 433939-27-6 3-Bromo-5-fluorophenol (HCID 21904636)

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Grundinformationen

CAS: 433939-27-6
Standard-SMILES: Oc1cc(F)cc(Br)c1
InChIKey: JCPJGUPQZDEZQH-UHFFFAOYSA-N
Summenformel: C6H4BrFO
Durchschnittliche Molmasse: 191 g/mol
Monoisotopische Masse: 189,94295507

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-fluorophenol
IUPAC: 3-bromo-5-fluorophenol
Englischer Name: 3-Fluoro-5-bromophenol
Summenformel: C6H4BrFO
Molmasse: 191

Namen und Synonyme

3-Bromo-5-fluorophenol433939-27-6DTXSID60619814RefChem:277578DTXCID70570568627-426-53-Fluoro-5-Bromophenol5-Bromo-3-fluorophenolPhenol, 3-bromo-5-fluoro-3-bromo-5-fluoro-phenolMFCD07783710SCHEMBL393819

Weitere Namen anzeigen

3-Bromo-5-fluorophenol >3-Bromo-5-fluorophenol 97%3-FLUORO-5-BROMO PHENOL,=98%

3-Bromo-5-fluorophenol, 97%AKOS005254559CS-W003437AC-3758B3063EN300-109408A1691SCHEMBL15352573

Datenbank-Bezeichner

CAS: 433939-27-6
PubChem CID: 21904636
DTXSID: DTXSID60619814
EC Number: 627-426-5
Nikkaji: J2.509.959A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 42 °C · 42 °C
Siedepunkt: 52 · 52-55 °C(Press: 9.98e-2 Torr)
Dichte: 1.764 · 1.764±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
pka: 8.01 · 8.01±0.10(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C6H4BrFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: JCPJGUPQZDEZQH-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=CC(Br)=C1
CAS Datenbank: 433939 · 433939-27-6(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, 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: 29081990
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Fluoro-5-bromophenol is mainly used as an intermediate in organic synthesis, especially in the fields of medicine, pesticides and materials science.