2,4-Dibromobutyryl chloride

HCID 4413143CAS 82820-87-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(Cl)C(Br)CCBr
InChIKey: WYZLYWUZERABRL-UHFFFAOYSA-N
Summenformel: C4H5Br2ClO
Durchschnittliche Molmasse: 264,34 g/mol
Monoisotopische Masse: 261,83956666

Namen und Bezeichner

Bevorzugter Name: 2,4-Dibromobutyryl chloride
IUPAC: 2,4-dibromobutanoyl chloride
Englischer Name: 2,4-Dibromobutyryl chloride
Summenformel: C4H5Br2ClO
Molmasse: 264.34

Namen und Synonyme

2,4-Dibromobutyryl chloride2,4-dibromobutanoyl chloride82820-87-9DTXSID50403002RefChem:443235DTXCID10353857629-640-42,4-dibromobutyrylchlorideButanoyl chloride, 2,4-dibromo-MFCD018629942,4-dibromobutanoic acid chlorideBC004825

Weitere Namen anzeigen

EOS-60357Bepotastine Impurity 132,4-Dibromobutyryl chloride ISO 9001：2015 REACH2,4-DibroMobutyryl chloride technical, ~90% (GC)

C4H5Br2ClOOlutasidenib Impurity 112,4dibromobutyryl chloride2,4 dibromobutanoyl chlorideBrCH2CH2CH(Br)C(O)Cl2,4-dibromo-butyryl chlorideSCHEMBL7890952,4-dibromobutyric acid chloride

Datenbank-Bezeichner

CAS: 82820-87-9
PubChem CID: 4413143
DTXSID: DTXSID50403002
EC Number: 629-640-4
Nikkaji: J3.676.464C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 86,1

Physikochemische Eigenschaften

Siedepunkt: 84 · 84-87 °C(Press: 8 Torr)
Dichte: 2 g/mL · 2.00 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.536
storage temp.: 2 · 2-8°C
Aggregatzustand: oil
Farbe: Clear, pale yellow
BRN: 4955401 · 4955401
InChI: 1S/C4H5Br2ClO/c5-2-1-3(6)4(7)8/h3H,1-2H2
InChIKey: WYZLYWUZERABRL-UHFFFAOYSA-N
SMILES: ClC(=O)C(Br)CCBr

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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: 8-10-19-21
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2915907098
risk_code: 14-34-42/43
hazard_code: C
safety_code: 23-26-36/37/39-45
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Resp. Sens. 1Skin Corr. 1BSkin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden2,4-Dibromobutyryl chloride was used in the preparation of:methyl 2,4-dibromobutanoateseries of 3-(3, 5-di-tert-butyl-4-hydroxybenzylidene)pyrrolidin-2-ones, anti-inflammatory/analgesic agentsα-bromolactam