Methyl-6-methylpyridin-2-carboxylat

Methyl 6-methylpyridine-2-carboxylate

HCID 73022CAS 13602-11-4

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Grundinformationen

Standard-SMILES: COC(=O)c1cccc(C)n1
InChIKey: CYWIZMOZBTXFIL-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Namen und Bezeichner

Bevorzugter Name: Methyl 6-methylpyridine-2-carboxylate
IUPAC: methyl 6-methylpyridine-2-carboxylate
Lokaler Name: Methyl-6-methylpyridin-2-carboxylat
Englischer Name: methyl 6-methylpyridine-2-carboxylate
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

Methyl 6-methylpyridine-2-carboxylate13602-11-4Methyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid methyl esterMethyl 6-methyl-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 6-methyl-, methyl ester6-methylpicolinic acid methyl esterH33TY2BZE4NSC-109151EINECS 237-085-0UNII-H33TY2BZE4NSC 109151

Weitere Namen anzeigen

Methyl-6-methylpyridin-2-carboxylatMETHYL-6-MENTHYPYRIDINE-2-CARBOXYLATEMethyl6-Methylpyridine-2-carboxylate>Methyl6-methylpyridine-2-carboxylate,96%6-methyl-2-pyridinecarboxylic acid ester

2-METHYL-6-METHOXYCARBONYLPYRIDINEDTXSID90159632PICOLINIC ACID, 6-METHYL-, METHYL ESTER6-METHYLPYRIDIN-2-CARBOXYLIC ACID METHYL ESTERRefChem:157725DTXCID8082123237-085-0MFCD06203670

Datenbank-Bezeichner

CAS: 13602-11-4
PubChem CID: 73022
DTXSID: DTXSID90159632
UNII: H33TY2BZE4
EC Number: 237-085-0
Nikkaji: J277.952H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 18 °C · 18 °C
Siedepunkt: 242 ℃ · 242℃
Dichte: 1.104 · 1.104
Brechungsindex: 1.516 · 1.5160-1.5200
Flammpunkt: 100 ℃ · 100℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to lump to clear liquid
pka: 1.93 · 1.93±0.10(Predicted)
Farbe: White or Colorless to Light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

hs_code: 2933399990

Chemie und Industrie

Anwendungen

VerwendenMethyl 6-Methylpyridine-2-carboxylate is a reagent used in the sunthesis of antitumor agents based upon the dihydropyrrolopyrazole compounds. Also used in the synthesis of quinazolinone TGF-β inhibitors.