Ethyl-4-brombutyrat
Ethyl 4-bromobutyrate
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Grundinformationen
- CAS
2969-81-5- Standard-SMILES
CCOC(=O)CCCBr- InChIKey
XBPOBCXHALHJFP-UHFFFAOYSA-N- Summenformel
- C6H11BrO2
- Durchschnittliche Molmasse
- 195,05 g/mol
- Monoisotopische Masse
- 193,99424169
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 4-bromobutyrate
- IUPAC
- ethyl 4-bromobutanoate
- Lokaler Name
- Ethyl-4-brombutyrat
- Englischer Name
- Ethyl 4-bromobutyrate
- Summenformel
- C6H11BrO2
- Molmasse
- 195.05
Namen und Synonyme
Ethyl 4-bromobutyrate2969-81-5Butanoic acid, 4-bromo-, ethyl esterEINECS 221-005-6NSC 133462AI3-36601DTXSID80183845RefChem:595356DTXCID20106336Butanoic acid, 4bromo, ethyl esterButanoic acid, 4bromo, ethyl ester (9CI)Butanoic acid, 4-bromo-, ethyl ester (9CI)
Weitere Namen anzeigen
4- broMobutanoate4-Bromobutanoic acid, ethyl ester4- broMo ethyl4-bromohexanoate4-BromobutylesterEthyl 4-broMobutyrEthl 4-broMobutyrate
221-005-6Ethyl 4-bromobutanoate4-Bromobutyric Acid Ethyl EsterMFCD00000259ethyl4-bromobutyrate4-Bromo-butyric acid ethyl esterBrCH2CH2CH2C(O)OC2H54-bromobutanoic acid ethyl ester
Datenbank-Bezeichner
- CAS
2969-81-5- PubChem CID
- 76300
- DTXSID
DTXSID80183845- UNII
- EZ8TY5JSD5
- EC Number
- 221-005-6
- Nikkaji
- J26.260I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 83,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 98 · 98-100 °C
- Siedepunkt
- 80 · 80-82 °C/10 mmHg (lit.)
- Dichte
- 1.363 g/mL · 1.363 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.456(lit.)
- Flammpunkt
- 195 °F · 195 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
- Aggregatzustand
- Liquid
- Wichte
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Butanoic acid, 4-bromo-, ethyl ester
Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23781
ETHYL 4-BROMOBUTYRATE: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2915900090
- risk_code
- 36/37/38-22
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungEthyl 4-bromobutyrate is a colourless volatile liquid organic or biological reagent. It is used in organic synthesis to prepare 4-bromobutyl ester, 4-bromobutyl amide and 4-bromobutyl ether. It is also used in the synthesis of poly(2,6-dimethyl-1,4-epoxyphenyl ether) and isotopic thieno[2,3-b]azepin-4-one thieno[2,3-b]-azepin-4-one with antitumour activity. In the biological field, it has been used in enzyme-linked immunosorbent assays for zilpaterol.
VerwendenEthyl 4-bromobutyrate is used as a building block for the preparation of firefly luciferase inhibitor-conjucated peptide derivatives. It finds application in the synthesis of poly(2,6,-dimethyl-1,4-phehylene oxide) and thieno(2,3-b)-azepin-4-ones.
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