2-Methoxy-3-(trifluoromethyl)pyridine

HCID 2775309CAS 121643-44-5

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Grundinformationen

Standard-SMILES: COc1ncccc1C(F)(F)F
InChIKey: SSAZZVQVJJXPMB-UHFFFAOYSA-N
Summenformel: C7H6F3NO
Durchschnittliche Molmasse: 177,12 g/mol
Monoisotopische Masse: 177,04014847

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-3-(trifluoromethyl)pyridine
IUPAC: 2-methoxy-3-(trifluoromethyl)pyridine
Englischer Name: 2-Methoxy-3-(trifluoromethyl)pyridine
Summenformel: C7H6F3NO
Molmasse: 177.12

Namen und Synonyme

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5DTXSID70923914RefChem:474193DTXCID801352761625-462-62-Methoxy-3-TrifluoromethylpyridinePyridine, 2-methoxy-3-(trifluoromethyl)-MFCD00153202SCHEMBL322870SCHEMBL932929SCHEMBL4512844

Weitere Namen anzeigen

BUTTPARK 45\01-90METHOXY-3-TRIFLUOROMETHYLPYRIDINE2-Bromo-7-(trifluoromethyl)pyridine2-Methoxy-3-(trifluoromethyl)pyridine>2-Methoxy-3-(trifluoromethyl)pyridine98%2-Methoxy-3-(trifluoromethyl)pyridine 98%2-Methoxy-3-(trifluoromethyl)pyridine ISO 9001：2015 REACH

SCHEMBL304408022-methoxy-3-trifluoromethyl-pyridineSBB0555453-(trifluoromethyl)-2-methoxypyridineAKOS005063435AC-9483CS-W002446FS-1130

Datenbank-Bezeichner

CAS: 121643-44-5
PubChem CID: 2775309
DTXSID: DTXSID70923914
EC Number: 625-462-6
Nikkaji: J3.115.049C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 148

Physikochemische Eigenschaften

Siedepunkt: 44 °C · 44 °C
Dichte: 1.297 g/mL · 1.297 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.441
Flammpunkt: 118 °F · 118 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: clear liquid
pka: 0.97 · 0.97±0.10(Predicted)
Farbe: Colorless to Almost colorless
InChI: InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3
InChIKey: SSAZZVQVJJXPMB-UHFFFAOYSA-N
SMILES: C1(OC)=NC=CC=C1C(F)(F)F
CAS Datenbank: 121643 · 121643-44-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (88.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1992 3/PG 3
hs_code: 2933399990
risk_code: 10-25-36/37/38-20/21/22
hazard_code: T,Xi,Xn
safety_code: 16-26-45-36
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3