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HCID 3696469Erstellt: 23. Oktober 2026

Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

BUTTPARK 46\18-97 · Methyl 2-chloro-4-(trifluoromethyl)pyrimidine- · Methyl2-chloro-4-(trifluoromethyl)pyrimidine-5- · 2-Chloro-5-(methoxycarbonyl)-4-(trifluoromethyl)pyrimidine · Methyl-2-chloro-4-(trifluoromethyl)pyrimidin-5-carboxylate · METHYL 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE · Methyl 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylate · Methyl 2-Chloro-4-(trif1uoromethyl) pyridine-5-carboxylate

https://huagongshe.com/de/chemical/3696469

Molekülstruktur von Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Identifikatoren & physikalische Daten

CAS No.175137-27-6
SummenformelC7H4ClF3N2O2
Durchschnittliche Molmasse240,57 g/mol
Monoisotopische Masse239,99133971 g/mol
SMILESCOC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIKeyVLUBJYUOPNGBOQ-UHFFFAOYSA-N
PubChem CID3696469
EC No.671-935-5
DTXSIDDTXSID50395175

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)52,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren7
Frei drehbare Bindungen2
Schwere Atome15
Formalladung0
Komplexität249
Schmelzpunkt253-254 °C
Siedepunkt76-78°C 0,5mm
Dichte1.491
Brechungsindexn20/D1.468
Flammpunkt>110℃
Lagerbedingungen2-8°C
pKa (Säurekonstante)-5.70±0.29(Predicted)
Aggregatzustandliquid
InChI1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3
InChIKeyVLUBJYUOPNGBOQ-UHFFFAOYSA-N
SMILESCOC(=O)c1cnc(Cl)nc1C(F)(F)F
CAS Datenbank175137-27-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 2810 6.1 / PGIII
Zollcode2933599590
R-Sätze (R)36/37/38-20/21/22-22
GefahrensymboleXi,Xn
Sicherheitshinweise (S)26-36/37/39-23-51-24/25-22
GefahrenklasseIRRITANTAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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