Ethyl-4-brombutyrat

Ethyl 4-bromobutyrate

HCID 76300CAS 2969-81-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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 Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
9

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

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 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Chemie und Industrie

Anwendungen · 2 Einträge

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.

Vor- und nachgelagerte Produkte

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衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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