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HCID 2773751Erstellt: 26. Oktober 2026

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid

RARECHEM AL BE 0499 · 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid · Benzoic acid, 3-chloro-2-fluoro-5-(trifluoromethyl)- · 13C6]-3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid · 3-Carboxy-5-chloro-4-fluorobenzotrifluoride, 5-Chloro-alpha,alpha,alpha,6-tetrafluoro-m-toluic acid

https://huagongshe.com/de/chemical/2773751

Molekülstruktur von 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid

Identifikatoren & physikalische Daten

CAS No.129931-45-9
SummenformelC8H3ClF4O2
Durchschnittliche Molmasse242,55 g/mol
Monoisotopische Masse241,9757699 g/mol
SMILESO=C(O)c1cc(C(F)(F)F)cc(Cl)c1F
InChIKeyUINXNXRHKMRASA-UHFFFAOYSA-N
PubChem CID2773751
EC No.630-212-4
DTXSIDDTXSID10378686

Chemische & physikalische Eigenschaften

XLogP3,1
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren6
Frei drehbare Bindungen1
Schwere Atome15
Formalladung0
Komplexität256
Schmelzpunkt89-91°C
Lagerbedingungen2-8°C
LöslichkeitSoluble in most organic solvents, basic aqueous solutions.
CAS Datenbank129931-45-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zollcode2916399090
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36
GefahrenklasseIRRITANT