Methyl 2-Chloro-6-methylisonicotinate

HCID 2759833CAS 3998-90-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)c1cc(C)nc(Cl)c1
InChIKey: BDWMGYZSQKGUFA-UHFFFAOYSA-N
Summenformel: C8H8ClNO2
Durchschnittliche Molmasse: 185,61 g/mol
Monoisotopische Masse: 185,02435618

Namen und Bezeichner

Bevorzugter Name: Methyl 2-Chloro-6-methylisonicotinate
IUPAC: methyl 2-chloro-6-methylpyridine-4-carboxylate
Englischer Name: Methyl 2-chloro-6-methylpyridine-4-carboxylate
Summenformel: C8H8ClNO2
Molmasse: 185.61

Namen und Synonyme

3998-90-1Methyl 2-chloro-6-methylisonicotinateDTXSID60374931RefChem:354201DTXCID40325961627-727-1Methyl 2-chloro-6-methylpyridine-4-carboxylateMethyl 2-chloro-6-picoline-4-carboxylateMFCD040383912-chloro-6-picoline-4-carboxylic acid methyl esterAB17061PS-6097

Weitere Namen anzeigen

ETHYL 2-CHLORO-6-METHYLISONICOTINATE2-METHOXYL-5-NITROPICOLINEMethyl 2-Chloro-6-methylisonicotite2-Chloro-6-methyl methylisonicotinateMethyl2-Chloro-6-methylisonicotinate>METHYL 2-CHLORO-6-METHYLPYRIDINE-4-CARB&Methyl 2-chloro-6-methylisonicotinate 97%methyl 6-chloro-2-methylpyridine-4-carboxylate

AC-23148M2239methyl-2-chloro-6-methylpyridine-4-carboxylate2-Chloro-6-methylisonicotinic Acid Methyl Ester2-chloro-6-methyl-isonicotinic acid methyl esterMethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%2-chloro-6-p2-Chloro-6-methylpyridine-4-carboxylic Acid Methyl Ester

Datenbank-Bezeichner

CAS: 3998-90-1
PubChem CID: 2759833
DTXSID: DTXSID60374931
EC Number: 627-727-1
Nikkaji: J2.414.762B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-62 °C(lit.)
Siedepunkt: 124 · 124-125 °C7 mm Hg(lit.)
Dichte: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -0.19 · -0.19±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKey: BDWMGYZSQKGUFA-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C(OC)=O)=C1
CAS Datenbank: 3998 · 3998-90-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.