2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid

HCID 2782714

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Grundinformationen

CAS: 198205-79-7
Standard-SMILES: O=C(O)c1ccc(-c2ccccc2C(F)(F)F)cc1
InChIKey: WQKDEUGMDSTMAK-UHFFFAOYSA-N
Summenformel: C14H9F3O2
Durchschnittliche Molmasse: 266,21 g/mol
Monoisotopische Masse: 266,05546401

Namen und Bezeichner

Bevorzugter Name: 2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acid
IUPAC: 4-[2-(trifluoromethyl)phenyl]benzoic acid
Englischer Name: 2'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID
Summenformel: C14H9F3O2
Molmasse: 266.22

Namen und Synonyme

2'-trifluoromethyl [1,1'-biphenyl]-4-carboxylic acid2'-Trifluoromethyl (1,1'-biphenyl)-4-carboxylic acidRefChem:439735672-180-4198205-79-72'-Trifluoromethyl-biphenyl-4-carboxylic acid2'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid4-[2-(trifluoromethyl)phenyl]benzoic Acid2'-trifluoromethylbiphenyl-4-carboxylic acid2'-(Trifluoromethyl)biphenyl-4-carboxylic AcidMFCD034246052'-(Trifluoromethyl)biphenyl

Weitere Namen anzeigen

AKOS BAR-00224-[2-(trifluoromethyl)phenyl]benzoate4-(2-(Trifluoromethyl)phenyl)benzoic acidTrifluoromethylbiphenyl-4-carboxylic acid4-(2,4-Bis(trifluoromethyl)phenyl)benzoic acid2′-Trifluoromethyl-biphenyl-4-carboxylic acid, CAS 198205-79-7

4-(2-Trifluoromethylphenyl)benzoic acid2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acidSCHEMBL566127[1,1'-Biphenyl]-4-carboxylic acid, 2'-(trifluoromethyl)-2/'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACIDBB 0222374[1,1'-Biphenyl]-4-SCHEMBL29869199

Datenbank-Bezeichner

CAS: 198205-79-7
PubChem CID: 2782714
DTXSID: DTXSID00382232
EC Number: 672-180-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 319

Physikochemische Eigenschaften

Siedepunkt: 380.777 · 380.777±42.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.326 · 1.326±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.072 · 4.072±0.10(predicted)
CAS Datenbank: 198205 · 198205-79-7(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 2 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.