2-Brom-1,1-diethoxyethan

Ethane, 2-bromo-1,1-diethoxy-

HCID 74852CAS 2032-35-1

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

Bromoacetaldehyde diethyl acetal2032-35-12-Bromo-1,1-diethoxyethaneEthane, 2-bromo-1,1-diethoxy-1-Bromo-2,2-diethoxyethane2,2-Diethoxyethyl bromide1,1-Diethoxy-2-bromoethaneBromacetalDiethyl bromoacetal2-Bromoacetaldehyde diethyl acetalDiethyl bromoacetaldehyde acetalAcetaldehyde, bromo-, diethyl acetal
Weitere Namen anzeigen
BROMOACETALBADEA-Bromodiethylacetal
M4DGX2BMU9NSC 8036NSC-8036EINECS 217-989-1.alpha.-Bromoacetaldehyde diethyl acetalAI3-28195DTXSID2062111RefChem:591656

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
Density1.31 @25 °C

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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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

Hazard Classes and CategoriesFlam. Liq. 3 (13.2%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthane, 2-bromo-1,1-diethoxy-: ACTIVE
Anwendungen · 1 Eintrag

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 · 1 Eintrag

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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