Ethyl 5-bromothiophene-2-carboxylate

HCID 605723CAS 5751-83-7

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Grundinformationen

Standard-SMILES: CCOC(=O)c1ccc(Br)s1
InChIKey: PZNHMXAOMDQLLE-UHFFFAOYSA-N
Summenformel: C7H7BrO2S
Durchschnittliche Molmasse: 235,1 g/mol
Monoisotopische Masse: 233,93501256

Namen und Bezeichner

Bevorzugter Name: Ethyl 5-bromothiophene-2-carboxylate
IUPAC: ethyl 5-bromothiophene-2-carboxylate
Englischer Name: Ethyl 5-bromothiophene-2-carboxylate
Summenformel: C7H7BrO2S
Molmasse: 235.1

Namen und Synonyme

Ethyl 5-bromothiophene-2-carboxylate5751-83-7DTXSID50345594RefChem:344302DTXCID40296667676-573-15-Bromothiophene-2-carboxylic acid ethyl esterMFCD02683089Ethyl 5-bromo-2-thiophenecarboxylate2-Thiophenecarboxylic acid, 5-bromo-, ethyl ester2-bromo-5-ethoxycarbonylthiopheneAKOS008950228

Weitere Namen anzeigen

5-bromo-2-thiophenecarboxyL5- broMothiophene -2-ethyl forMateEthyl 5-bromothiophen-2-carboxylateEthyl5-Bromothiophene-2-carboxylate>Ethyl5-bromothiophene-2-carboxylate,99%Ethyl 5-bromothiophene-2-carboxylate ,98.5%

CS-W002964AB12313DS-1513AC-28051E11115-Bromo-thiophene-2-carboxylic acid ethyl esterEthyl5-bromothiophene-2-carboxylateSCHEMBL64687

Datenbank-Bezeichner

CAS: 5751-83-7
PubChem CID: 605723
DTXSID: DTXSID50345594
EC Number: 676-573-1
Nikkaji: J389.650A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 54,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Siedepunkt: 94 · 94-96°C/4mm
Dichte: 1.572 · 1.572±0.06 g/cm3(Predicted)
Brechungsindex: 1.56 to · 1.5600 to 1.5640
Flammpunkt: 94 · 94-96°C/4mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Light orange to Yellow to Green
Wasserlöslichkeit: Slightly soluble in water
InChI: InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKey: PZNHMXAOMDQLLE-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)SC(Br)=CC=1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.