Chemical Properties of 4-Bromophenyl ether (CAS 2050-47-7)

4-Bromophenyl ether

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InChI
InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChI Key
YAWIAFUBXXPJMQ-UHFFFAOYSA-N
Formula
C12H8Br2O
SMILES
Brc1ccc(Oc2ccc(Br)cc2)cc1
Molecular Weight1
328.00
CAS
2050-47-7
Other Names
  • 4,4'-BDE
  • 4,4'-Dibromodiphenyl ether
  • Benzene, 1,1'-oxybis[4-bromo-
  • Bis(bromophenyl) ether
  • Bis(p-bromophenyl)ether
  • Bis-(4-bromophenyl) ether
  • Diphenyl ether, 4,4'-dibromo
  • Ether, bis(4-bromophenyl)
  • Ether, bis(p-bromophenyl)
  • NSC 1787
  • NSC 9487
  • USAF DO-61
  • di(4-Bromophenyl)ether
  • p,p'-Dibromodiphenyl ether
Sources

Physical Properties

Property Value Unit Source
Δf 179.36 kJ/mol Joback Calculated Property
Δfgas 79.55 kJ/mol Joback Calculated Property
Δfus 25.90 kJ/mol Joback Calculated Property
Δvap 63.46 kJ/mol Joback Calculated Property
logPoct/wat 5.00 Crippen Calculated Property
Pc 3824.55 kPa Joback Calculated Property
Tboil 612.20 K NIST
Tc 965.48 K Joback Calculated Property
Tfus 327.15 ± 1.50 K NIST
Tfus 327.15 ± 1.50 K NIST
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 370.09 J/mol×K 692.02 Joback Calculated Property
η 0.00 Pa×s 692.02 Joback Calculated Property
ΔvapH 78.00 kJ/mol 418.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 4
-Br 2
=CH- (ring) 8

Similar Compounds

P-BROMOPHENYL PHENYL ETHER. 3,3',4,4'-Tetrabromodiphenyl ether. Diphenyl ether. Phenol, 4,4'-oxybis-. 4-Phenoxyphenol. 2,4,4'-Tribromodiphenyl ether. Benzene, 1,4-bis(p-phenoxyphenoxy)-. Benzene, 1,4-diphenoxy-. 4-Bromophenol. Dibromophenyl ether. Phenol, 3-phenoxy-. Benzene, 1,1'-oxybis[4-chloro-. Benzene, 1-chloro-4-phenoxy-. 4-Fluorodiphenyl ether. Bis(4-fluorophenyl)ether.

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