3-Chloro-5-fluorophenol

HCID 2773713

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Grundinformationen

CAS: 202982-70-5
Standard-SMILES: Oc1cc(F)cc(Cl)c1
InChIKey: ZMFBYTAAMHWQHD-UHFFFAOYSA-N
Summenformel: C6H4ClFO
Durchschnittliche Molmasse: 146,54 g/mol
Monoisotopische Masse: 145,9934706

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-5-fluorophenol
IUPAC: 3-chloro-5-fluorophenol
Englischer Name: 3-Chloro-5-fluorophenol
Summenformel: C6H4ClFO
Molmasse: 146.55

Namen und Synonyme

3-Chloro-5-fluorophenol202982-70-5DTXSID10378661RefChem:93462DTXCID60329688606-511-0Phenol, 3-chloro-5-fluoro-3-chloro-5-fluoro-phenolMFCD00042212SCHEMBL2218393-Chloro-5-fluorophenol, AldrichCPRAKOS006230029

Weitere Namen anzeigen

3-Chloro-5-fluorophenol98%3-Chloro-5-fluorophenol 98%Phenol, 3-chloro-5-fluoro- (9CI)3-Chloro-4-fluoro-α,α,α-trifluorotoluene3-CHLORO-5-FLUOROPHENOL ISO 9001：2015 REACH

CS-W005519PS-8946AC-28533EN300-2483383-chloranyl-5-fluoranyl-phenolAM82862FT-0657199SCHEMBL9645386

Datenbank-Bezeichner

CAS: 202982-70-5
PubChem CID: 2773713
DTXSID: DTXSID10378661
EC Number: 606-511-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
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

Physikochemische Eigenschaften

Siedepunkt: 206 · 206.0±20.0 °C(Predicted)
Dichte: 1.408 · 1.408±0.06 g/cm3(Predicted)
Brechungsindex: 1.537 · 1.537
storage temp.: Inert atmosphere,Room Temperature
pka: 8.01 · 8.01±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Clear
Wasserlöslichkeit: Immiscible with water.
CAS Datenbank: 202982 · 202982-70-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312 (11.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (22.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (77.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (77.8%)；Skin Irrit. 2 (22.2%)；Eye Irrit. 2 (22.2%)；STOT SE 3 (22.2%)；Aquatic Chronic 2 (77.8%)

Sicherheitsdaten

ridadr: UN3265
hs_code: 2908190090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Chloro-5-fluorophenol is used as an intermediate in organic synthesis. It plays an important role in the preparation of substituted amides as antagonists and/or inverse agonists of cannabinoid-1 receptor, substituted N-(arylmethyl)aryloxy arylcarboxamide and heteroarylcarboxamide antagonists for the PGE2 receptor EP4 for the treatment of pain, inflammation, osteoarthritis, and rheumatoid arthritis.