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HCID 2736644Erstellt: 26. Oktober 2026

5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

BUTTPARK 37\08-24 · 5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID · 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoicacid97% · 5-(4-Chlorophenyl)-2-(trifluoromethyl)-3-furoic acid 97% · 5-(4-Chlorophenyl)-2-(Trifluoromethyl)Furan-3-Carboxylic · 5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid · 5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)FURAN-3-CARBOXYLIC ACID · 3-Furancarboxylic acid, 5-(4-chlorophenyl)-2-(trifluoromethyl)-

https://huagongshe.com/de/chemical/2736644

Molekülstruktur von 5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.175276-60-5
SummenformelC12H6ClF3O3
Durchschnittliche Molmasse290,62 g/mol
Monoisotopische Masse289,99575639 g/mol
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIKeyBQUIEVOFWHVZAW-UHFFFAOYSA-N
PubChem CID2736644
EC No.672-010-9
DTXSIDDTXSID80371503

Chemische & physikalische Eigenschaften

XLogP3,7
Polarare Oberfläche (TPSA)50,4
H-Brücken-Donoren1
H-Brücken-Akzeptoren6
Frei drehbare Bindungen2
Schwere Atome19
Formalladung0
Komplexität340
Schmelzpunkt188-190°C
Siedepunkt400.6±45.0 °C(Predicted)
Dichte1.486±0.06 g/cm3(Predicted)
pKa (Säurekonstante)2.85±0.26(Predicted)
Aggregatzustandsolid
InChI1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(11(17)18)10(19-9)12(14,15)16/h1-5H,(H,17,18)
InChIKeyBQUIEVOFWHVZAW-UHFFFAOYSA-N
SMILESOC(=O)c1cc(oc1C(F)(F)F)-c2ccc(Cl)cc2
CAS Datenbank175276-60-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
Wassergefährdungsklasse (WGK)WGK 3
Zollcode2932190090
R-Sätze (R)36/37/38-34-25
GefahrensymboleXi,C,T
hazard_noteIrritant
Sicherheitshinweise (S)26-36/37/39-45-22
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
GefahrenklasseAcute Tox. 3 Oral