Grundinformationen
- Standard-SMILES
COC(CBr)OC- InChIKey
FUSFWUFSEJXMRQ-UHFFFAOYSA-N- Summenformel
- C4H9BrO2
- Durchschnittliche Molmasse
- 169,02 g/mol
- Monoisotopische Masse
- 167,97859
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-1,1-dimethoxyethane
- IUPAC
- 2-bromo-1,1-dimethoxyethane
- Lokaler Name
- 2-Brom-1,1-dimethoxyethan
- Englischer Name
- Bromoacetaldehyde dimethyl acetal
- Summenformel
- C4H9BrO2
- Molmasse
- 169.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
7252-83-7- PubChem CID
- 81672
- DTXSID
DTXSID2064608- UNII
- 7BKM28RJ5D
- EC Number
- 230-669-6
- Nikkaji
- J134.884A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 36
Physikochemische Eigenschaften
- Siedepunkt
- 148 · 148-150 °C (lit.)
- Dichte
- 1.43 g/mL · 1.43 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.445(lit.)
- Flammpunkt
- 129 °F · 129 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light orange to Yellow
- Wichte
- 1.445 · 1.445
- Wasserlöslichkeit
- insoluble
- BRN
- 1280132 · 1280132
- InChI
- InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
- InChIKey
- FUSFWUFSEJXMRQ-UHFFFAOYSA-N
- SMILES
- C(OC)(OC)CBr
- CAS Datenbank
- 7252 · 7252-83-7(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Ethane, 2-bromo-1,1-dimethoxy-(7252-83-7)
- EPA chemische Informationen
- 2 · Ethane, 2-bromo-1,1-dimethoxy- (7252-83-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (47.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (44.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 78 reports by companies from 10 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- F
- 8-9-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29110000
- risk_code
- 10-36-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/39-28A-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Bromo-1,1-dimethoxyethane (Bromoacetaldehyde dimethyl acetal) was used in the synthesis of 2,3-O-acetal via reaction with 2,3-diol in the presence of 10-camphorsulphonic acid (CSA). 2-bromo-1,1-dimethoxyethane was used to react with 4-hydroxylbenzaldehyde, and finally aldehyde substituted prodrug was generated by TFA-mediated deacetalization.
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