Ethyl-2-brombutyrat

Butanoic acid, 2-bromo-, ethyl ester

HCID 79039CAS 533-68-6

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Grundinformationen

Standard-SMILES: CCOC(=O)C(Br)CC
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
Summenformel: C6H11BrO2
Durchschnittliche Molmasse: 195,05 g/mol
Monoisotopische Masse: 193,99424169

Namen und Bezeichner

Bevorzugter Name: Butanoic acid, 2-bromo-, ethyl ester
IUPAC: ethyl 2-bromobutanoate
Lokaler Name: Ethyl-2-brombutyrat
Englischer Name: DL-Ethyl 2-bromobutyrate
Summenformel: C6H11BrO2
Molmasse: 195.05

Namen und Synonyme

Ethyl 2-bromobutyrate533-68-6Butanoic acid, 2-bromo-, ethyl ester2-Bromobutyric Acid Ethyl EsterEthyl alpha-bromobutyrateEthyl .alpha.-bromobutyrateUNII-SB2GD08LJASB2GD08LJANSC-8855EINECS 208-574-6AI3-52371Ethyl .alpha.-bromo-n-butyrate

Weitere Namen anzeigen

Ethyl 2-bromobutanoate2- broMobutanoateEthyl 2-broMobutyr2-ethyl bromobutyrateethyl2-bromobutanoateEthy1-2-bromobutyrateα-ethyl bromobutyrate*Tramadol Impurity 13

DTXSID30870591EC 208-574-6.alpha.-Bromo-n-butyric acid ethyl esterRefChem:122085Ethyl alpha-bromo-n-butyrateDTXCID10818299alpha-Bromo-n-butyric acid ethyl esterETHYL ALPHA-BROMOBUTYRATE, (+-)-

Datenbank-Bezeichner

CAS: 533-68-6
PubChem CID: 79039
DTXSID: DTXSID30870591
UNII: SB2GD08LJA
EC Number: 208-574-6
Nikkaji: J125.370K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 93,1

Physikochemische Eigenschaften

Schmelzpunkt: -4 °C · -4°C
Siedepunkt: 177 °C · 177 °C (lit.)
Dichte: 1.321 g/mL · 1.321 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.447(lit.)
Flammpunkt: 137 °F · 137 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Insoluble in water. Miscible with alcohol and ether
Merck: 14 · 14,1413
BRN: 969841 · 969841
Dielectric constant: 8 · 8.0(20℃)
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
CAS Datenbank: 533 · 533-68-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · Butanoic acid, 2-bromo-, ethyl ester(533-68-6)
EPA chemische Informationen: 2 · Ethyl 2-bromobutyrate (533-68-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (96%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5938

Ethyl 2-bromobutyrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (96%)

Sicherheitsdaten

F: 8-19
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29159080
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-39-24/25-23
hazard_class: 3
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoic acid, 2-bromo-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl 2-bromobutyrate, is an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used for agrochemical and pharmaceutical intermediate.