2-(2-Chloro-4-fluorophenyl)acetic acid

HCID 2725061

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Grundinformationen

CAS: 177985-32-9
Standard-SMILES: O=C(O)Cc1ccc(F)cc1Cl
InChIKey: CDUSPKFHAVQVRQ-UHFFFAOYSA-N
Summenformel: C8H6ClFO2
Durchschnittliche Molmasse: 188,58 g/mol
Monoisotopische Masse: 188,0040353

Namen und Bezeichner

Bevorzugter Name: 2-(2-Chloro-4-fluorophenyl)acetic acid
IUPAC: 2-(2-chloro-4-fluorophenyl)acetic acid
Englischer Name: 2-Chloro-4-fluorophenylacetic acid
Summenformel: C8H6ClFO2
Molmasse: 188.58

Namen und Synonyme

2-(2-chloro-4-fluorophenyl)acetic acid2-Chloro-4-fluorobenzeneacetic acidRefChem:453546642-574-02-Chloro-4-fluorophenylacetic acid177985-32-9(2-chloro-4-fluorophenyl)acetic acidBenzeneacetic acid, 2-chloro-4-fluoro-MFCD00236028CL8960STK894623AC-26166

Weitere Namen anzeigen

TIMTEC-BB SBB003675RARECHEM AL BO 0843LABOTEST-BB LT004411502-Chloro-4-fluorophenylaceticacid97%2-Chloro-4-fluorophenylacetic acid,99%2-Chloro-4-fluorophenylacetic acid 97%2-(2-CHLORO-4-FLUORO-PHENYL)ACETIC ACID

SY014032TS-02659CS-0020087EN300-112008AB01330563-02Z285184620FT-0611772A22040

Datenbank-Bezeichner

CAS: 177985-32-9
PubChem CID: 2725061
DTXSID: DTXSID90369350
EC Number: 642-574-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-104 °C
Siedepunkt: 292.8 · 292.8±25.0 °C(Predicted)
Dichte: 1.3379 · 1.3379 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 4.02 · 4.02±0.10(Predicted)
Wasserlöslichkeit: Slightly soluble in water.
CAS Datenbank: 177985 · 177985-32-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 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.