2-Bromethylacetat

1-Acetoxy-2-bromoethane

HCID 13564CAS 927-68-4

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Grundinformationen

Standard-SMILES: CC(=O)OCCBr
InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N
Summenformel: C4H7BrO2
Durchschnittliche Molmasse: 167 g/mol
Monoisotopische Masse: 165,96294

Namen und Bezeichner

Bevorzugter Name: 1-Acetoxy-2-bromoethane
IUPAC: 2-bromoethyl acetate
Lokaler Name: 2-Bromethylacetat
Englischer Name: 2-Bromoethyl acetate
Summenformel: C4H7BrO2
Molmasse: 167

Namen und Synonyme

2-BROMOETHYL ACETATE927-68-4Bromoethyl acetate1-Acetoxy-2-bromoethane2-Bromoethylacetate1-Bromo-2-acetoxyethaneEthanol, 2-bromo-, acetateAcetic Acid 2-Bromoethyl Ester2-acetoxyethyl bromide2-bromoethanol acetateEthanol, 2-bromo-, 1-acetateNSC 7079

Weitere Namen anzeigen

bromoethylacetate2-bromo-ethanoacetate1-ACETYL-2-BROMOETHANE2-BromoethylAcetate97%2-bromoethyl ethanoateBETA-BROMOETHYL ACETATE

EINECS 213-159-8NRZ256O7QBBRN 1743110NSC-7079BROMOETHYL ACETATE, 2-DTXSID70878738RefChem:428951DTXCID401016777

Datenbank-Bezeichner

CAS: 927-68-4
PubChem CID: 13564
DTXSID: DTXSID70878738
ChEMBL: CHEMBL42088
UNII: NRZ256O7QB
EC Number: 213-159-8
Nikkaji: J1.743D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 62

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index882

Physikochemische Eigenschaften

Schmelzpunkt: -14 · -14--13.8 °C (lit.)
Siedepunkt: 159 °C · 159 °C (lit.)
Dichte: 1.514 g/mL · 1.514 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.455(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform, Ethanol (Very Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wichte: 1.52 · 1.52
BRN: 1743110 · 1743110
InChI: 1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N
SMILES: CC(=O)OCCBr
CAS Datenbank: 927 · 927-68-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · Ethanol, 2-bromo-, acetate(927-68-4)
EPA chemische Informationen: 2 · Ethanol, 2-bromo-, acetate (927-68-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.