2-Brom-1,1-dimethoxyethan

2-Bromo-1,1-dimethoxyethane

HCID 81672CAS 7252-83-7

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

2-Bromo-1,1-dimethoxyethaneEthane, 2-bromo-1,1-dimethoxy-EINECS 230-669-6NSC 73700DTXSID2064608FUSFWUFSEJXMRQ-UHFFFAOYSA-RefChem:85606DTXCID1047318230-669-6FUSFWUFSEJXMRQ-UHFFFAOYSA-NInChI=1/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H37252-83-7
Weitere Namen anzeigen
BADABADMA2-Brom-1,1-dimethoxyethan2-BROMO-1,1-DIMETHYLETHANE1,1-Dimethoxy-2-bromoethane
Bromoacetaldehyde dimethyl acetal1-Bromo-2,2-dimethoxyethane2,2-Dimethoxyethyl bromideDimethylbromoacetal2,2-Dimethoxybromoethane2-Bromoacetaldehyde dimethyl acetalMFCD00000213Acetaldehyde, bromo-, dimethyl acetal

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Regulatory InformationChemical: Ethane, 2-bromo-1,1-dimethoxy-
Hazard Classes and CategoriesFlam. Liq. 3 (100%);Skin Irrit. 2 (47.4%);Eye Irrit. 2 (97.4%);STOT SE 3 (44.9%)

Regulatorische Informationen

Regulatory InformationChemical: Ethane, 2-bromo-1,1-dimethoxy-

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

Chemie und Industrie

Verwendung und Herstellung

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

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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