Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)

HCID 16655470CAS 176977-85-8

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Grundinformationen

Standard-SMILES: COC(=O)c1cc(Cl)ccn1.Cl
InChIKey: PAGFSBPYVNFHAS-UHFFFAOYSA-N
Summenformel: C7H7Cl2NO2
Durchschnittliche Molmasse: 208,04 g/mol
Monoisotopische Masse: 206,98538382

Namen und Bezeichner

Bevorzugter Name: Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)
IUPAC: methyl 4-chloropyridine-2-carboxylate;hydrochloride
Englischer Name: Methyl 4-chloro-2-pyridinecarboxylate hydrochloride
Summenformel: C7H7Cl2NO2
Molmasse: 208.04

Namen und Synonyme

176977-85-8DTXSID80586514Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)RefChem:355678DTXCID90537279Methyl 4-chloropicolinate hydrochlorideMethyl 4-chloropyridine-2-carboxylate hydrochlorideMethyl 4-chloro-2-pyridinecarboxylate hydrochloride4-Chloro-pyridine-2-carboxylic acid methyl ester hydrochlorideMFCD05864729Methyl 4-Chloropicolinate Hydrochloride Saltmethyl 4-chloropyridine-2-carboxylate;hydrochloride

Weitere Namen anzeigen

oropicoLEOS-61639oride SaLZinc00337474inate HydrochLMETHYL 4-CHLOROPICOLINATE, HCL4-Chloropicolinic acid methyl ester HClMETHYL 4-CHLORO-2-PYRIDINECARBOXYLATE, HCL

4-Chloropyridine-2-carboxylic acid methyl ester hydrochloride2-Pyridinecarboxylic acid, 4-chloro-, methyl ester, hydrochloride (1:1)Methyl 4-Chloropyridine-2-carboxylate Hydrochloride; 4-Chloro-2-pyridinecarboxylic Acid Methyl Ester Hydrochloride;Sorafenib Impurity 55 HCl2Q37CLX6EGDiscontinued See M294457SCHEMBL177902PAGFSBPYVNFHAS-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 176977-85-8
PubChem CID: 16655470
DTXSID: DTXSID80586514
UNII: 2Q37CLX6EG
EC Number: 803-285-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-138
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Methanol, Water
Aggregatzustand: Solid
Farbe: Pale Yellow
InChI: 1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
InChIKey: PAGFSBPYVNFHAS-UHFFFAOYSA-N
SMILES: Cl.COC(=O)c1cc(Cl)ccn1
CAS Datenbank: 176977 · 176977-85-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Anwendungen

VerwendenMethyl 4-Chloropyridine-2-carboxylate Hydrochloride_x000D_Discontinued See M294457 (cas# 176977-85-8) is a compound useful in organic synthesis.