Ethyl-5-bromvalerat

Ethyl 5-bromovalerate

HCID 84580CAS 14660-52-7

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Grundinformationen

Standard-SMILES: CCOC(=O)CCCCBr
InChIKey: AFRWBGJRWRHQOV-UHFFFAOYSA-N
Summenformel: C7H13BrO2
Durchschnittliche Molmasse: 209,08 g/mol
Monoisotopische Masse: 208,00989176

Namen und Bezeichner

Bevorzugter Name: Ethyl 5-bromovalerate
IUPAC: ethyl 5-bromopentanoate
Lokaler Name: Ethyl-5-bromvalerat
Englischer Name: Ethyl 5-bromovalerate
Summenformel: C7H13BrO2
Molmasse: 209.08

Namen und Synonyme

Ethyl 5-bromovalerate14660-52-7Ethyl 5-bromopentanoate5-Bromopentanoic acid ethyl esterPentanoic acid, 5-bromo-, ethyl ester5-Bromovaleric Acid Ethyl EsterEthyl omega-bromovalerateAG6TP2H7HL5-Bromopentanoate ethyl esterValeric acid, 5-bromo-, ethyl esterEINECS 238-705-2NSC-310169

Weitere Namen anzeigen

Ethyl 5-bromoacetateTramadol Impurity 12Ethyl 5-broMovalerate 98%Ethyl 5-bromovalerate,99%Ethyl 5-Bromovalerate >Ethyl Acetate Impurity 10

Ethyl .omega.-bromovalerateAI3-37649AFRWBGJRWRHQOV-UHFFFAOYSA-5-Bromovaleric acid, ethyl esterDTXSID50163417ETHYL .DELTA.-BROMOVALERATENSC 310169RefChem:138813

Datenbank-Bezeichner

CAS: 14660-52-7
PubChem CID: 84580
DTXSID: DTXSID50163417
UNII: AG6TP2H7HL
EC Number: 238-705-2
Nikkaji: J236.175B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 93,6

Physikochemische Eigenschaften

Siedepunkt: 104 · 104-109 °C/12 mmHg (lit.)
Dichte: 1.321 g/mL · 1.321 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.458(lit.)
Flammpunkt: 219 °F · 219 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 1752023 · 1752023
InChI: InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChIKey: AFRWBGJRWRHQOV-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CCCCBr
CAS Datenbank: 14660 · 14660-52-7(CAS DataBase Reference)
NIST chemische Informationen: 5 · Pentanoic acid, 5-bromo-, ethyl ester(14660-52-7)

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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8-10
wgk: 3
hs_code: 29159000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenEthyl 5-bromovalerate is employed in the preparation of S(γ-Carboxypropyl)-DL-homocysteine and S(δ-Carboxybutyl)-DL-homocysteine. It is also used in the preparation of ethyl 5-azidovalerate.