Brommethylacetat

Bromomethyl acetate

HCID 68536CAS 590-97-6

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Grundinformationen

Standard-SMILES: CC(=O)OCBr
InChIKey: NHYXMAKLBXBVEO-UHFFFAOYSA-N
Summenformel: C3H5BrO2
Durchschnittliche Molmasse: 152,97 g/mol
Monoisotopische Masse: 151,9472915

Namen und Bezeichner

Bevorzugter Name: Bromomethyl acetate
IUPAC: bromomethyl acetate
Lokaler Name: Brommethylacetat
Englischer Name: Bromomethyl acetate
Summenformel: C3H5BrO2
Molmasse: 152.97

Namen und Synonyme

Bromomethyl acetateBromomethanol acetateMethanol, bromo-, acetateMethanol, 1-bromo-, 1-acetateDTXSID00883451EINECS 209-696-2RefChem:121600DTXCID501022981209-696-2590-97-6acetic acid bromomethyl esterAcetoxymethyl Bromide

Weitere Namen anzeigen

brommethylacetatBromomethyl acetate,97%BROMOMETHANOLACETATEACETOXYMETHYLBROMIDEbromo-methanoacetatebromomethyl ethanoateBromomethyl Acetate >BroMoMethyl acetate 95%

MFCD00000170Bromomethyl Acetate (~90%)AKOS015841095EN300-7100335Acetyloxymethyl Bromide1-Bromomethanol 1-Acetatebromo-methyl acetate1-bromomethyl acetate

Datenbank-Bezeichner

CAS: 590-97-6
PubChem CID: 68536
DTXSID: DTXSID00883451
EC Number: 209-696-2
Nikkaji: J448K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 52,8

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-140.5 °C
Siedepunkt: 130 · 130-133 °C/750 mmHg (lit.)
Dichte: 1.56 g/mL · 1.56 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.447(lit.)
Flammpunkt: 135 °F · 135 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Miscible with chloroform.
Aggregatzustand: Crystalline Powder or Powder
Farbe: White to light beige
Stabilität: Hygroscopic, Moisture Sensitive, Volatile
InChI: InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3
InChIKey: NHYXMAKLBXBVEO-UHFFFAOYSA-N
SMILES: C(OC(=O)C)Br
CAS Datenbank: 590 · 590-97-6(CAS DataBase Reference)
EPA chemische Informationen: Methanol, bromo-, acetate (590-97-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
hs_code: 29153900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-45
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanol, 1-bromo-, 1-acetate: ACTIVE

Anwendungen

VerwendenBromomethyl acetate is involved in the preparation of optically active cyclohexene antisepsis agents. It acts as reagent in samarium diiodide-mediated conversion of ketones and aldehydes to 1,2-diacetates.