1-Bromo-4-phenylmethoxybenzene

HCID 138835CAS 6793-92-6

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Grundinformationen

Standard-SMILES: Brc1ccc(OCc2ccccc2)cc1
InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N
Summenformel: C13H11BrO
Durchschnittliche Molmasse: 263,13 g/mol
Monoisotopische Masse: 261,99933

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-phenylmethoxybenzene
IUPAC: 1-bromo-4-phenylmethoxybenzene
Englischer Name: 4-Benzyloxybromobenzene
Summenformel: C13H11BrO
Molmasse: 263.13

Namen und Synonyme

1-(Benzyloxy)-4-bromobenzene1-bromo-4-phenylmethoxybenzeneRefChem:430670614-179-34-Benzyloxybromobenzene6793-92-61-Benzyloxy-4-bromobenzene1-bromo-4-(phenylmethoxy)benzene1-bromo-4-benzyloxybenzene4-benzyloxy-1-bromobenzeneC13H11BrO1-benzyloxy-4-bromo-benzene

Weitere Namen anzeigen

4-BenzyLAURORA KA-4380oxybromobenzene4-BenzyloxybromobenzBenzyloxybromobenzene-Benzyloxybromobenzenep-Bromophenyl benzyl eth1-phenoxy-4-bromobenzene

MFCD000280164-(benzyloxy)bromobenzeneBenzyl p-bromophenyl ether4-bromophenyl benzyl etherBenzyl 4-Bromophenyl EtherBenzyl4-(Bromophenyl)-ether-d4Benzene, 1-bromo-4-(phenylmethoxy)-1-Bromo-4-[(phenylmethyl)oxy]benzene

Datenbank-Bezeichner

CAS: 6793-92-6
PubChem CID: 138835
DTXSID: DTXSID40218142
EC Number: 614-179-3
Nikkaji: J397.267D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 60 · 60-63 °C (lit.)
Siedepunkt: 166 · 166-167 °C/4 mmHg (lit.)
Dichte: 1.3883 · 1.3883 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
Flammpunkt: 166 · 166-167°C/3mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly, Heated)
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
BRN: 1371040 · 1371040
InChI: InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: OUQSGILAXUXMGI-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(OCC2=CC=CC=C2)C=C1
CAS Datenbank: 6793 · 6793-92-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Benzyloxybromobenzene(6793-92-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.