Grundinformationen
- Standard-SMILES
CCOC(CBr)OCC- InChIKey
LILXDMFJXYAKMK-UHFFFAOYSA-N- Summenformel
- C6H13BrO2
- Durchschnittliche Molmasse
- 197,07 g/mol
- Monoisotopische Masse
- 196,00989176
Namen und Bezeichner
- Bevorzugter Name
- Ethane, 2-bromo-1,1-diethoxy-
- IUPAC
- 2-bromo-1,1-diethoxyethane
- Lokaler Name
- 2-Brom-1,1-diethoxyethan
- Englischer Name
- Bromoacetaldehyde diethyl acetal
- Summenformel
- C6H13BrO2
- Molmasse
- 197.07
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2032-35-1- PubChem CID
- 74852
- DTXSID
DTXSID2062111- ChEMBL
CHEMBL2251333- UNII
- M4DGX2BMU9
- EC Number
- 217-989-1
- Nikkaji
- J24.192J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 53
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 66 · 66-67 °C18 mm Hg(lit.)
- Dichte
- 1.31 g/mL · 1.31 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.439(lit.)
- Flammpunkt
- 125 °F · 125 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless
- Wichte
- 1.31 · 1.310
- Wasserlöslichkeit
- immiscible
- BRN
- 635754 · 635754
- InChI
- 1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
- InChIKey
- LILXDMFJXYAKMK-UHFFFAOYSA-N
- SMILES
- CCOC(CBr)OCC
- CAS Datenbank
- 2032 · 2032-35-1(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethane, 2-bromo-1,1-diethoxy-(2032-35-1)
- EPA chemische Informationen
- 2 · Ethane, 2-bromo-1,1-diethoxy- (2032-35-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (13.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, 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 106 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Ethane, 2-bromo-1,1-diethoxy-
Status: Active Update: 08-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19580
Bromoacetaldehyde diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Sicherheitsdaten
- F
- 8-9-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29110000
- risk_code
- 10-36-36/38-23-22
- hazard_code
- Xi,T
- hazard_note
- Toxic/Irritant
- safety_code
- 16-26-45-38-37/39-28A-36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenBromoacetaldehyde diethyl acetal, is used as a synthetic building block. It is mainly used for synthesis of antibiotics such as erythromycin and cephalosporins and to other drugs. It also can be used as pharmaceutical intermediates. Besides, this chemical can be used to pruduce drugs such as methylthio imidazole, chlorpheniramine and others for thyroid. It also acts as a Useful intermediate for the preparation of other -heterosubstituted acetaldehyde acetals.
Darstellung
synthetischeTo a flask containing 118.0 gm (1.0 mole) of diethyl acetal and 55 gm (0.55 mole) of calcium carbonate is dropwise added 55 ml (1.0 mole) of bromine over a 30-45 min period while keeping the reaction temperature at 5°-10°C. The reaction mixture is allowed to stand 24 hr, steam is introduced to dissolve the salts, the oil separated, dried over potassium carbonate, and distilled to afford 61-83 gm (31-42%), b.p. 167°-170°C. The product is further purified by shaking with potassium carbonate and distilling it under reduced pressure, b.p. 48°-49°C (3 mm Hg). The pure acetal is unstable and becomes colored in a few hours and black after several days. However, the crude acetal boiling at 167°-170°C is stable for several months.
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