Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11085762Erstellt: 23. Oktober 2026

Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-

2-Methylsulfanyl-4-trifluoromethylbenzoic acid · Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-

https://huagongshe.com/de/chemical/11085762

Molekülstruktur von Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-

Identifikatoren & physikalische Daten

CAS No.142994-05-6
SummenformelC9H7F3O2S
Durchschnittliche Molmasse236,21 g/mol
Monoisotopische Masse236,01188512 g/mol
SMILESCSc1cc(C(F)(F)F)ccc1C(=O)O
InChIKeyVAFHTUOXGAZOQY-UHFFFAOYSA-N
PubChem CID11085762
EC No.642-971-9
DTXSIDDTXSID70888978

Chemische & physikalische Eigenschaften

XLogP2,8
Polarare Oberfläche (TPSA)62,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren6
Frei drehbare Bindungen2
Schwere Atome15
Formalladung0
Komplexität242
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physical DescriptionLiquid
Siedepunkt284.6±40.0 °C(Predicted)
Dichte1.44±0.1 g/cm3(Predicted)
Lagerbedingungen2-8°C, stored under nitrogen
pKa (Säurekonstante)3.16±0.10(Predicted)
EPA chemische InformationenBenzoic acid, 2-(methylthio)-4-(trifluoromethyl)- (142994-05-6)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, 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.
Regulatorische InformationenBenzoic acid, 2-(methylthio)-4-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
TSCA-Inventar-StatusTSCA listed
Zollcode2916399090