1-Brom-2,2-dimethoxypropan

1-Bromo-2,2-dimethoxypropane

HCID 67175

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Grundinformationen

CAS: 126-38-5
Standard-SMILES: COC(C)(CBr)OC
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
Summenformel: C5H11BrO2
Durchschnittliche Molmasse: 183,04 g/mol
Monoisotopische Masse: 181,99424

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2,2-dimethoxypropane
IUPAC: 1-bromo-2,2-dimethoxypropane
Lokaler Name: 1-Brom-2,2-dimethoxypropan
Englischer Name: 1-Bromo-2,2-dimethoxypropane
Summenformel: C5H11BrO2
Molmasse: 183.04

Namen und Synonyme

1-Bromo-2,2-dimethoxypropane126-38-5Propane, 1-bromo-2,2-dimethoxy-EINECS 204-784-7DTXSID70155036RefChem:75035DTXCID9077527204-784-7SGTITUFGCGGICE-UHFFFAOYSA-N1-Bromo-2,2-dimethoxyprpopaneMFCD000002081-bromo-2,2-dimethoxy-propane

Weitere Namen anzeigen

1-BROMO-2,2-DIMETHOXYPROPANONE1-Bromo-2,2-dimethoxypropane 97%1-Bromo-2,2-dimethoxypropane,97%1-Bromo-2,2-dimethoxyprpopane czj

bromo-2,2-dimethoxypropane323582F8T3BROMOACETONE DIMETHYL ACETALbromo-2,2dimethoxypropane1-Bromo-22-dimethoxypropaneSCHEMBL10584411-bromo-2,2-dimethoxy propaneBROMOACETONE DIMETHYL KETAL

Datenbank-Bezeichner

CAS: 126-38-5
PubChem CID: 67175
DTXSID: DTXSID70155036
UNII: 323582F8T3
EC Number: 204-784-7
Nikkaji: J21C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 61

Physikochemische Eigenschaften

Siedepunkt: 83 · 83-87 °C/80 mmHg (lit.)
Dichte: 1.355 g/mL · 1.355 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.447(lit.)
Flammpunkt: 105 °F · 105 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: liquid
BRN: 2036095 · 2036095
InChI: InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
SMILES: C(Br)C(OC)(OC)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 47 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29110000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-27-36/37/39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Beschreibung1-Bromo-2,2-dimethoxypropane can be analyzed by this reverse phase (RP) HPLC method with simple conditions. The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid.

Verwenden1-Bromo-2,2-dimethoxypropane was used in the synthesis of:coronenedicarbonyl(η5-cyclopentadienyl)(η′-2-methoxyallyl)iron