5-Bromovaleryl chloride

HCID 521173CAS 4509-90-4

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Grundinformationen

Standard-SMILES: O=C(Cl)CCCCBr
InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N
Summenformel: C5H8BrClO
Durchschnittliche Molmasse: 199,47 g/mol
Monoisotopische Masse: 197,94470466

Namen und Bezeichner

Bevorzugter Name: 5-Bromovaleryl chloride
IUPAC: 5-bromopentanoyl chloride
Englischer Name: 5-Bromovaleryl chloride
Summenformel: C5H8BrClO
Molmasse: 199.47

Namen und Synonyme

5-Bromovaleryl chloride4509-90-4DTXSID40334573RefChem:1072748DTXCID502856635-Bromopentanoyl chloride5-Bromovaleroyl Chloride5-Bromovalerylchloride5-bromovaleric acid chloride5-bromo-pentanoyl chloridebromovalerylchlorideMFCD00013660

Weitere Namen anzeigen

TECO-0045-broMo-aMyl chloride5-BroMobalery chloride5-BromovalericChloride5-Bromovalery chloride5-BromovaIeryI Chloride5-Bromovaleryl chloride,98%

5-bromovaleric chlorideSCHEMBL50102AKOS006222732B2059H11319bromovaleryl cbromovaleryl chlorideAM85775

Datenbank-Bezeichner

CAS: 4509-90-4
PubChem CID: 521173
DTXSID: DTXSID40334573
UNII: X9K7ZM48B5
EC Number: 629-364-4
Nikkaji: J1.228.757G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,8

Physikochemische Eigenschaften

Siedepunkt: 116 · 116-118 °C/33 mmHg (lit.)
Dichte: 1.49 g/mL · 1.49 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.492(lit.)
Flammpunkt: 225 °F · 225 °F
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.49 · 1.49
Wasserlöslichkeit: Reacts with water.
InChI: InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCCBr
CAS Datenbank: 4509 · 4509-90-4(CAS DataBase Reference)

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, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 07-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28160

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

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-36/37
hazard_code: C
hazard_note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung5-Bromovaleryl chloride is a chemical compound that functions as an acylating agent in organic synthesis. It is used to introduce the 5-bromovaleryl group into various organic molecules, allowing for the modification of their chemical properties. The mode of action of 5-Bromovaleryl chloride involves the substitution of the hydroxyl group in organic compounds with the 5-bromovaleryl group, leading to the formation of new chemical bonds. This process can be utilized to create novel compounds with specific functional groups for further study and analysis.

Verwenden5-Bromovaleryl chloride was used in the preparation of aromatic azides and organic gelators.