3-Chloro-2-fluorophenol

HCID 2773712

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Grundinformationen

CAS: 2613-22-1
Standard-SMILES: Oc1cccc(Cl)c1F
InChIKey: PCHPYNHSMSAJEU-UHFFFAOYSA-N
Summenformel: C6H4ClFO
Durchschnittliche Molmasse: 146,54 g/mol
Monoisotopische Masse: 145,99347065

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-2-fluorophenol
IUPAC: 3-chloro-2-fluorophenol
Englischer Name: 3-CHLORO-2-FLUOROPHENOL
Summenformel: C6H4ClFO
Molmasse: 146.55

Namen und Synonyme

3-Chloro-2-fluorophenol2613-22-1DTXSID50378660RefChem:278167DTXCID00329687670-688-0Phenol, 3-chloro-2-fluoro-3-Chloro-2-fluoro-phenolMFCD016315722-fluoro-3-chloro-phenolSCHEMBL912023CS-W018221

Weitere Namen anzeigen

3-CHLORO-2-FLUOROPHE3-Chloro-2-fluorophenol, 98%+3-CHLORO-2-FLUOROPHENOL ISO 9001：2015 REACH

AC-3772PS-8943SY0231764-VINYL-13-DIOXOLAN-2-ONE99FT-0656160A19857SCHEMBL2049779SCHEMBL3645962

Datenbank-Bezeichner

CAS: 2613-22-1
PubChem CID: 2773712
DTXSID: DTXSID50378660
EC Number: 670-688-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
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: 34 · 34-38℃
Siedepunkt: 190 °C · 190°C
Dichte: 1.408 · 1.408±0.06 g/cm3(Predicted)
Flammpunkt: 190 °C · 190°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: fused solid
pka: 7.74 · 7.74±0.10(Predicted)
Farbe: Pale yellow
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKey: PCHPYNHSMSAJEU-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC(Cl)=C1F
CAS Datenbank: 2613 · 2613-22-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 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 (95.8%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2908190090
risk_code: 20/21/22-36/37/38
hazard_code: T,Xi
hazard_note: Toxic
safety_code: 26-36/37/39
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Chloro-2-fluorophenol are employed in the preparation of resins, dyes, explosives, lubricants, and plastics. Also they are are endowed with antioxidant property and are used as antioxidants in many formulations such as pharmaceuticals, cosmetics, electrical transformer oil, solvents, and organic reactions.