Methyl 2-(chloromethyl)pyridine-3-carboxylate

HCID 19081344CAS 177785-14-7

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Grundinformationen

Standard-SMILES: COC(=O)c1cccnc1CCl
InChIKey: AMIVNKVBDFJAFD-UHFFFAOYSA-N
Summenformel: C8H8ClNO2
Durchschnittliche Molmasse: 185,61 g/mol
Monoisotopische Masse: 185,02435618

Namen und Bezeichner

Bevorzugter Name: Methyl 2-(chloromethyl)pyridine-3-carboxylate
IUPAC: methyl 2-(chloromethyl)pyridine-3-carboxylate
Englischer Name: Methyl 2-(chloromethyl)nicotinate
Summenformel: C8H8ClNO2
Molmasse: 185.61

Namen und Synonyme

177785-14-7METHYL 2-(CHLOROMETHYL)PYRIDINE-3-CARBOXYLATEDTXSID00597889RefChem:353917DTXCID90548648862-201-7METHYL 2-(CHLOROMETHYL)NICOTINATE3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl esterMFCD106994382-Chloromethyl-nicotinic acid methyl ester2-Chloromethyl-pyridine-3-carboxylic acid methyl ester2-(CHLOROMETHYL)NICOTINIC ACID METHYL ESTER

Weitere Namen anzeigen

Methyl 2-(chloromethyl)nicotinate - [M70459]METHYL 2-(CHLOROMETHYL)NICOTINATE ISO 9001：2015 REACH

SCHEMBL242591methyl (chloromethyl)nicotinatemethyl2-(chloromethyl)nicotinateSCHEMBL29363643AMIVNKVBDFJAFD-UHFFFAOYSA-NMethyl 2-(chloroomethyl)nicotinateCHA78514AKOS006303203

Datenbank-Bezeichner

CAS: 177785-14-7
PubChem CID: 19081344
DTXSID: DTXSID00597889
EC Number: 862-201-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 279.4 · 279.4±30.0 °C(Predicted)
Dichte: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 1.67 · 1.67±0.22(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Achtung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 2-(chloromethyl)nicotinate is an intermediate used in synthesizing NAI 1 (N215005), which is used in the process of visualizing the physical basis for molecular behavious inside living cells. RNAs are central to biological regulation and this molecule aids in the first global view of RNA secondary structures in living cells for all four bases.