3,5-Difluorophenol

HCID 75928CAS 2713-34-0

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Grundinformationen

Standard-SMILES: Oc1cc(F)cc(F)c1
InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
Summenformel: C6H4F2O
Durchschnittliche Molmasse: 130,09 g/mol
Monoisotopische Masse: 130,02302119

Namen und Bezeichner

Bevorzugter Name: 3,5-Difluorophenol
IUPAC: 3,5-difluorophenol
Englischer Name: 3,5-Difluorophenol
Summenformel: C6H4F2O
Molmasse: 130.09

Namen und Synonyme

3,5-Difluorophenol2713-34-0Phenol, 3,5-difluoro-Phenol,3,5-difluoro-HJSSBIMVTMYKPD-UHFFFAOYSA-DTXSID10181596RefChem:91520DTXCID50104087608-047-4HJSSBIMVTMYKPD-UHFFFAOYSA-NInChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9HMFCD00002255

Weitere Namen anzeigen

3,5-DiflourophenolTegoprazan Impurity 73,5-Difluorophenol>3,5-Difluorophenol99%3,5-Difluorophenol 99%3,5-Difluorophenol,98+%3,5-Difluorophenol (ACI)3, 5 - two fluorine phenol

C6H4F2O3,5-difluoro-phenol3,5-difluoro phenol3,5-fluorophenol3,5-difluorphenol3,5difluorophenolphenol derivative, 63,5-Bis(fluoranyl)phenol

Datenbank-Bezeichner

CAS: 2713-34-0
PubChem CID: 75928
DTXSID: DTXSID10181596
ChEMBL: CHEMBL259068
UNII: JN34ZXS9X7
EC Number: 608-047-4
Nikkaji: J432.241J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 87,1

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-57 °C (lit.)
Siedepunkt: 65 · 65-68°C 1mm
Dichte: 1.2483 · 1.2483 (estimate)
Flammpunkt: 159 °F · 159 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 50 · ethanol: soluble50, clear, colorless to faint yellow or tan (mg/mL)
pka: 7.97 · 7.97±0.10(Predicted)
Aggregatzustand: Crystals
Farbe: White to beige
BRN: 2078616 · 2078616
InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
SMILES: C1(O)=CC(F)=CC(F)=C1
CAS Datenbank: 2713 · 2713-34-0(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,5-Difluorophenol(2713-34-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 9 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
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 20/21/22-36/37/38-34-11
hazard_code: Xn,Xi,C,F
hazard_note: Harmful
safety_code: 26-36-45-36/37/39-16
hazard_class: 6.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,5-Difluorophenol is an important medicine, pesticide, and liquid crystal material intermediate, mainly used in the synthesis of liquid crystal materials and antifungal agents, and also used in the synthesis of dyes, plastics and rubber additives.