2-Methyl-6-(trifluoromethyl)nicotinic acid

HCID 2775683CAS 261635-93-2

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Grundinformationen

Standard-SMILES: Cc1nc(C(F)(F)F)ccc1C(=O)O
InChIKey: ODWJFUQRQUCRJZ-UHFFFAOYSA-N
Summenformel: C8H6F3NO2
Durchschnittliche Molmasse: 205,13 g/mol
Monoisotopische Masse: 205,03506309

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-6-(trifluoromethyl)nicotinic acid
IUPAC: 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
Englischer Name: 2-Methyl-6-(trifluoromethyl)nicotinic acid
Summenformel: C8H6F3NO2
Molmasse: 205.13

Namen und Synonyme

261635-93-22-methyl-6-(trifluoromethyl)nicotinic acidDTXSID30379655RefChem:263597DTXCID90330681670-662-92-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid2-methyl-6-trifluoromethyl-nicotinic acidMFCD013119903-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-Maybridge4_000139SCHEMBL148900

Weitere Namen anzeigen

2-Methyl-6-(trifluoromethyl)nicotinicacid,97%2-Methyl-6-(trifluoromethyl)nicotinic acid, Tech.2-methyl-6-(trifluoromethyl)pyridine-3-carboxylicaci2-METHYL-6-(TRIFLUOROMETHYL)NICOTINIC ACID ISO 9001：2015 REACH2-Methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-2-methyl-6-(trifluoromethyl)pyridine

2-methyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid6-(trifluoromethyl)-2-methylpyridine-3-carboxylic acidSCHEMBL30102436WLZ5113BUTTPARK 27\06-89HMS1521G07SBB018065AKOS000302070

Datenbank-Bezeichner

CAS: 261635-93-2
PubChem CID: 2775683
DTXSID: DTXSID30379655
EC Number: 670-662-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-141℃
Siedepunkt: 253 · 253.0±40.0℃ (760 Torr)
Dichte: 1.414 · 1.414±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 106.8 · 106.8±27.3℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder
pka: 2.51 · 2.51±0.25(Predicted)
Farbe: yellow to pale brown
Wasserlöslichkeit: Slightly soluble in water (4.7 g/L at 25°C).

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.