2-(4-Fluorophenyl)-2-methylpropanoic acid

HCID 20163803

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Grundinformationen

CAS: 93748-19-7
Standard-SMILES: CC(C)(C(=O)O)c1ccc(F)cc1
InChIKey: IOSAIRIBZLAABD-UHFFFAOYSA-N
Summenformel: C10H11FO2
Durchschnittliche Molmasse: 182,19 g/mol
Monoisotopische Masse: 182,07430775

Namen und Bezeichner

Bevorzugter Name: 2-(4-Fluorophenyl)-2-methylpropanoic acid
IUPAC: 2-(4-fluorophenyl)-2-methylpropanoic acid
Englischer Name: 2-(4-Fluorophenyl)-2-methylpropanoic acid
Summenformel: C10H11FO2
Molmasse: 182.19

Namen und Synonyme

2-(4-fluorophenyl)-2-methylpropanoic acid93748-19-7DTXSID20603193RefChem:252356DTXCID50553950821-612-1MFCD110369162-(4-Fluorophenyl)-2-methylpropionic acidSCHEMBL1421745AC7352AKOS000745559BS-24617

Weitere Namen anzeigen

Benzeneacetic acid, 4-fluoro-α,α-dimethyl-

SY0235112-(4-fluorophenyl)-2-methylpropanoicacidBCP100722-(4-fluorophenyl)-2-methyl-propanoic acidCS-00944682-(4-fluoro-phenyl)-2-methyl-propionic acidEN300-68812F377835

Datenbank-Bezeichner

CAS: 93748-19-7
PubChem CID: 20163803
DTXSID: DTXSID20603193
EC Number: 821-612-1

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: 13
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Siedepunkt: 268.8 · 268.8±15.0 °C(Predicted)
Dichte: 1.175 · 1.175±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.36 · 4.36±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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 29 reports by companies from 2 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.