Ethyl 5-(chloromethyl)-2-furancarboxylate

HCID 263166

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Grundinformationen

CAS: 2528-00-9
Standard-SMILES: CCOC(=O)c1ccc(CCl)o1
InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N
Summenformel: C8H9ClO3
Durchschnittliche Molmasse: 188,61 g/mol
Monoisotopische Masse: 188,02402183

Namen und Bezeichner

Bevorzugter Name: Ethyl 5-(chloromethyl)-2-furancarboxylate
IUPAC: ethyl 5-(chloromethyl)furan-2-carboxylate
Englischer Name: Ethyl 5-(chloromethyl)-2-furancarboxylate
Summenformel: C8H9ClO3
Molmasse: 188.61

Namen und Synonyme

Ethyl 5-(chloromethyl)-2-furancarboxylateRefChem:595589671-714-32528-00-9ethyl 5-(chloromethyl)furan-2-carboxylateethyl 5-(chloromethyl)-2-furoateEthyl 5-Chloromethyl-2-furancarboxylateEthyl 5-chloromethyl-2-furoateMFCD001738375-Chloromethyl-2-furancarboxylic Acid Ethyl EsterNSC975182-Furancarboxylic acid, 5-(chloromethyl)-, ethyl ester

Weitere Namen anzeigen

NSC 97518BUTTPARK 96\50-29Ethyl 5-(chloromethyl)-2-furoate 95+%Ethyl 5-(chloromethyl)-2-furancarboxyEthyl 5-(chloromethyl)-2-furoate, GC 95%5-(chloromethyl)-3-ethyl-2-furancarboxylateEthyl 5-Chloromethyl-2-furancarboxylate >

SCHEMBL852957ethyl 2-chloromethyl-5-furoateDTXSID90294638JBACYJRMCXLIQU-UHFFFAOYSA-NGEO-01329NSC-97518SBB054930AKOS002663472

Datenbank-Bezeichner

CAS: 2528-00-9
PubChem CID: 263166
DTXSID: DTXSID90294638
EC Number: 671-714-3
Nikkaji: J790.267K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 115 °C0.015 · 115 °C0.015 mm Hg(lit.)
Dichte: 1.225 g/mL · 1.225 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Wichte: 1.225 · 1.225
Farbe: Clear yellow
InChI: 1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(CCl)o1
CAS Datenbank: 2528 · 2528-00-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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

wgk: 3
hs_code: 29321900
risk_code: 38
hazard_code: Xi
hazard_note: Irritant
safety_code: 37
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl 5-(chloromethyl)-2-furancarboxylate may be employed for the synthesis of a series of novel sulfamide- and urea-based small-molecule antagonists of the protein-protein interaction IL-2/IL-2Rα. It may be employed as starting material for the synthesis of 5-hydroxymethylfuran-2-carboxylic acid.