4-Bromotetrahydropyran

HCID 13349654

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Grundinformationen

CAS: 25637-16-5
Standard-SMILES: BrC1CCOCC1
InChIKey: IVBVKTPDEWDNRW-UHFFFAOYSA-N
Summenformel: C5H9BrO
Durchschnittliche Molmasse: 165,03 g/mol
Monoisotopische Masse: 163,98367701

Namen und Bezeichner

Bevorzugter Name: 4-Bromotetrahydropyran
IUPAC: 4-bromooxane
Englischer Name: 4-BROMO-TETRAHYDROPYRAN
Summenformel: C5H9BrO
Molmasse: 165.03

Namen und Synonyme

4-BromotetrahydropyranRefChem:520573687-292-925637-16-54-bromooxane4-BROMO-TETRAHYDROPYRAN4-Bromotetrahydro-2H-pyran2H-Pyran, 4-bromotetrahydro-MFCD073715014-BROMOOXACYCLOHEXANE4-bromo-tetrahydro-2H-pyranDTXSID00537841

Weitere Namen anzeigen

?CB02576734-Bromo-tetrahydropyran ,98%4-BroMotetrahydro-2H-pyra...4-BROMO-TETRAHYDROPYRAN ISO 9001：2015 REACH

CS-W003396GS-4332B5600EN300-1545174-BROMOTETRAHYROPYRAN5-HydroBC003718monobromo tetrahydropyran

Datenbank-Bezeichner

CAS: 25637-16-5
PubChem CID: 13349654
DTXSID: DTXSID00537841
EC Number: 687-292-9
Nikkaji: J3.543.919F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 50

Physikochemische Eigenschaften

Siedepunkt: 178 ℃ · 178℃
Dichte: 1.467 g/cm3 · 1.467 g/cm3 at 25 °C
Brechungsindex: 20 · n20/D1.497
Flammpunkt: 69 ℃ · 69℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow to Orange
InChI: InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey: IVBVKTPDEWDNRW-UHFFFAOYSA-N
SMILES: C1OCCC(Br)C1
CAS Datenbank: 25637 · 25637-16-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Nickel-catalyzed alkyl-alkyl Suzuki coupling reactions with boron reagentsPreparation of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humansPreparation of aliphatic hydrocarbons via nickel-catalyzed Suzuki cross-coupling with alkylboranesPreparation of anthranilic acids as antibacterial agents with human serum albumin binding affinityPreparation of antiatherogenic antioxidant di-tert-butyldihydrobenzofuranols via Grignard reactions with di-tert-butyl(hydroxy)benzaldehyde derivativesSynthesis of gephyrotoxin via the Schmidt reaction