Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 520447Erstellt: 26. Oktober 2026

Methyl 4-(trifluoromethyl)benzoate

METHYL 4-(TRIFLUOROMETHYL)BENZOATE · RARECHEM AL BF 0111 · Methyl 4-trifluorome · 4-Trifluoromethylbenzoate methyl · Methyl 4-(Trifluoromethyl)Benoate · METHYL P-(TRIFLUOROMETHYL)BENZOATE · Methyl-4-(trifluoroMethyl)benzonate · Methyl4-(trifluoromethyl)benzoate98%

https://huagongshe.com/de/chemical/520447

Molekülstruktur von Methyl 4-(trifluoromethyl)benzoate

Identifikatoren & physikalische Daten

CAS No.2967-66-0
SummenformelC9H7F3O2
Durchschnittliche Molmasse204,15 g/mol
Monoisotopische Masse204,03981412 g/mol
SMILESCOC(=O)c1ccc(C(F)(F)F)cc1
InChIKeyVAZWXPJOOFSNLB-UHFFFAOYSA-N
PubChem CID520447
ChEMBLCHEMBL4637256
EC No.627-634-6
DTXSIDDTXSID60334353

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität205
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Schmelzpunkt13-14 °C (lit.)
Siedepunkt94-95 °C/21 mmHg (lit.)
Dichte1.268 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.451(lit.)
Flammpunkt180 °F
LagerbedingungenSealed in dry,Room Temperature
LöslichkeitChloroform (Slightly), Methanol (Slightly)
AggregatzustandLiquid
Wichte1.268
FarbeClear colorless to very pale yellow
BRN1963288
InChIInChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChIKeyVAZWXPJOOFSNLB-UHFFFAOYSA-N
SMILESC(OC)(=O)C1=CC=C(C(F)(F)F)C=C1
CAS Datenbank2967-66-0(CAS DataBase Reference)
NIST chemische Informationen3-CF3-C6H4-COOCH3(2967-66-0)

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode29163990
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-37/39
GefahrenklasseIRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse10 - Combustible liquids