4-Brombutyrylchlorid

4-Bromobutyryl chloride

HCID 70225CAS 927-58-2

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Grundinformationen

Standard-SMILES: O=C(Cl)CCCBr
InChIKey: LRTRXDSAJLSRTG-UHFFFAOYSA-N
Summenformel: C4H6BrClO
Durchschnittliche Molmasse: 185,45 g/mol
Monoisotopische Masse: 183,92905459

Namen und Bezeichner

Bevorzugter Name: 4-Bromobutyryl chloride
IUPAC: 4-bromobutanoyl chloride
Lokaler Name: 4-Brombutyrylchlorid
Englischer Name: 4-BROMOBUTYRYL CHLORIDE
Summenformel: C4H6BrClO
Molmasse: 185.45

Namen und Synonyme

4-Bromobutyryl chloride4-Bromobutanoyl chlorideButanoyl chloride, 4-bromo-Butyryl chloride, 4-bromo-EINECS 213-154-0.gamma.-Bromobutyryl chloride898F737ARM.gamma.-Bromobutyroyl chlorideDTXSID0061296gamma-Bromobutyryl chloridegamma-Bromobutyroyl chlorideRefChem:98190

Weitere Namen anzeigen

JACS-927-58-24-BrombutyrylchloridBepotastine Impurity 84-bromo-butanoylchloridG-BROMOBUTYROYL CHLORIDE4-Bromobutyrylchloride,97%4-BroMobutyryl chloride 95%

DTXCID8048810213-154-0LRTRXDSAJLSRTG-UHFFFAOYSA-N927-58-2MFCD000007534-bromobutyrylchloride4-Bromobutryl chlorideSCHEMBL94398

Datenbank-Bezeichner

CAS: 927-58-2
PubChem CID: 70225
DTXSID: DTXSID0061296
UNII: 898F737ARM
EC Number: 213-154-0
Nikkaji: J298.498I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 64,7

Physikochemische Eigenschaften

Siedepunkt: 101 °C37 · 101 °C37 mm Hg(lit.)
Dichte: 1.6 g/mL · 1.60 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.492(lit.)
Flammpunkt: 91 °C · 91 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow or light pink
Wasserlöslichkeit: Miscible with organic solvents. Immiscible with water.
BRN: 1743026 · 1743026
InChI: InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2
InChIKey: LRTRXDSAJLSRTG-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCBr
CAS Datenbank: 927 · 927-58-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · Butanoyl chloride, 4-bromo-(927-58-2)
EPA chemische Informationen: 4 · Butanoyl chloride, 4-bromo- (927-58-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 3-8-10
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 14-34-37
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoyl chloride, 4-bromo-: ACTIVE

Anwendungen

Verwenden4-Bromobutyryl chloride is used as a precursor for the synthesis of carolic acid by reacting with ethoxymagnesiomalonic ester. It is widely utilized as an intermediate in organic synthesis and pharmaceuticals.