4-(Bromomethyl)oxane

HCID 2773286CAS 125552-89-8

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Grundinformationen

Standard-SMILES: BrCC1CCOCC1
InChIKey: LMOOYAKLEOGKJR-UHFFFAOYSA-N
Summenformel: C6H11BrO
Durchschnittliche Molmasse: 179,05 g/mol
Monoisotopische Masse: 177,99933

Namen und Bezeichner

Bevorzugter Name: 4-(Bromomethyl)oxane
IUPAC: 4-(bromomethyl)oxane
Englischer Name: 4-(Bromomethyl)tetrahydropyran
Summenformel: C6H11BrO
Molmasse: 179.05

Namen und Synonyme

4-(bromomethyl)oxaneRefChem:515426638-902-74-(Bromomethyl)tetrahydropyran125552-89-84-bromomethyltetrahydropyran4-(bromomethyl)tetrahydro-2H-pyran4-Bromomethyl-tetrahydro-pyran4-(Bromomethyl)tetrahydro-pyran2H-PYRAN, 4-(BROMOMETHYL)TETRAHYDRO-MFCD037885614-Bromomethyl tetrahydropyran

Weitere Namen anzeigen

4-bromomethytetrahydropyran4-(BroMoMethyl)tetrahydro...4-(Bromomethyl)tetrahydropyrane4-Bromomethyltetrahydropyran, 96%4-(Bromomethyl)tetrahydropyran ,97%4-(Bromomethyl)tetrahydro-2H-pyran 97%

tetrahydro-pyran-4-ylmethyl bromide4-(bromomethyl) tetrahydro-2H-pyranCS-W003105PB20063BP-212324-(bromomethyl)tetrahydropyran, AldrichCPR4-(bromomethyl)-tetrahydro-2h-pyran4-Bromomethyl-tetrahydropyran

Datenbank-Bezeichner

CAS: 125552-89-8
PubChem CID: 2773286
DTXSID: DTXSID60378338
EC Number: 638-902-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 59

Physikochemische Eigenschaften

Siedepunkt: 88 °C · 88 °C
Dichte: 1.359 · 1.359±0.06 g/cm3(Predicted)
Brechungsindex: 1.49 · 1.49
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: liquid
Farbe: Light beige/brown
InChI: InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChIKey: LMOOYAKLEOGKJR-UHFFFAOYSA-N
SMILES: C1OCCC(CBr)C1
CAS Datenbank: 125552 · 125552-89-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.