Methyl 4-(trifluoromethyl)nicotinate

HCID 2775680CAS 175204-82-7

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Grundinformationen

Standard-SMILES: COC(=O)c1cnccc1C(F)(F)F
InChIKey: RFUABQNZKSSKRX-UHFFFAOYSA-N
Summenformel: C8H6F3NO2
Durchschnittliche Molmasse: 205,13 g/mol
Monoisotopische Masse: 205,03506309

Überblick

Methyl 4-(trifluoromethyl)nicotinate is a member of pyridines and an aromatic carboxylic acid.

Namen und Bezeichner

Bevorzugter Name: Methyl 4-(trifluoromethyl)nicotinate
IUPAC: methyl 4-(trifluoromethyl)pyridine-3-carboxylate
Englischer Name: Methyl 4-(trifluoromethyl)nicotinate
Summenformel: C8H6F3NO2
Molmasse: 205.13

Namen und Synonyme

methyl 4-(trifluoromethyl)nicotinate175204-82-7DTXSID70379654RefChem:355504DTXCID30330680807-916-7methyl 4-(trifluoromethyl)pyridine-3-carboxylateMFCD001015684-Trifluoromethyl-nicotinic acid methyl ester3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-, methyl esterMethyl4-(trifluoromethyl)nicotinateMethyl 4-(trifluoromethyl)

Weitere Namen anzeigen

Methyl4-(trifluoromethyl)nicotinate97%Methyl 4-(trifluoromethyl)nicotinate?NewMethyl 4-(trifluoromethyl)nicotinate 97%METHYL 4-(TRIFLUOROMETHYL)NICOTINATE ISO 9001：2015 REACHmethyl 4-(trifluoromethyl)pyridine-3-carboxylate - [M83636]3-Pyridinecarboxylic acid,4-(trifluoromethyl)-,methyl ester

orb3031007SCHEMBL3093031SCHEMBL16448180methyl 4-trifluoromethylnicotinateBUTTPARK 43\57-44CHEBI:194892Fr13044SBB093429

Datenbank-Bezeichner

CAS: 175204-82-7
PubChem CID: 2775680
DTXSID: DTXSID70379654
ChEBI: CHEBI:194892
EC Number: 807-916-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 217

Physikochemische Eigenschaften

Siedepunkt: 100 °C · 100°C 15mm
Dichte: 1.331 · 1.331±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.84 · 0.84±0.18(Predicted)
CAS Datenbank: 175204 · 175204-82-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.