Methyl 2-methylnicotinate

HCID 7015327CAS 65719-09-7

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Grundinformationen

Standard-SMILES: COC(=O)c1cccnc1C
InChIKey: KLHWBYHFWALOIJ-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Namen und Bezeichner

Bevorzugter Name: Methyl 2-methylnicotinate
IUPAC: methyl 2-methylpyridine-3-carboxylate
Englischer Name: Methyl 2-methylnicotinate
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

Methyl 2-methylnicotinate65719-09-7DTXSID30426734RefChem:354414DTXCID60377568680-921-8Methyl 2-methylpyridine-3-carboxylate2-Methylnicotinic acid methyl esterMFCD000519613-Pyridinecarboxylic acid, 2-methyl-, methyl esterMethyl2-methylnicotinateMethyl 2-methyl-3-pyridinecarboxylate

Weitere Namen anzeigen

Acifluorfen Impurity 6Methyl 2-methylnicotiteMethyl2-methylnicotinate,97%Methyl 2-Methylnicotinate, 95+%Methyl 2-methylpyridin-3-carboxylateMethyl 2-methylnicotinate ISO 9001：2015 REACH

methyi 2-methyinicotinatemethyl 2-methyinicotinatemethyl-2-methylnicotinateSCHEMBL1248162SCHEMBL12230973KLHWBYHFWALOIJ-UHFFFAOYSA-NSBB065253AKOS005255541

Datenbank-Bezeichner

CAS: 65719-09-7
PubChem CID: 7015327
DTXSID: DTXSID30426734
EC Number: 680-921-8
Nikkaji: J267.401G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
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

Siedepunkt: 102 · 102-104°C 10mm
Dichte: 1.104 · 1.104±0.06 g/cm3(Predicted)
Brechungsindex: 1.5165 · 1.5165
Flammpunkt: 102 · 102-104°C/10mm
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in chloroform and methanol.
pka: 3.92 · 3.92±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Colourless to Dark Yellow
BRN: 471919 · 471919
InChI: InChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3
InChIKey: KLHWBYHFWALOIJ-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(OC)=O
CAS Datenbank: 65719 · 65719-09-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesEye Dam. 1 (16.7%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/38-41
hazard_code: Xi
safety_code: 26-36-39

Chemie und Industrie

Anwendungen

VerwendenMethyl 2-Methylnicotinate is an ester derivative of nicotinic acid used in the preparation of bicyclic nitrogen containing heterocycles. Methyl 2-Methylnicotinate is a pyrolysis product of cocaine.