ChemicalBook--->CAS DataBase List--->101-55-3

101-55-3

101-55-3 Structure

101-55-3 Structure
IdentificationMore
[Name]

4-Bromophenoxybenzene
[CAS]

101-55-3
[Synonyms]

1-Bromo-4-phenoxybenzene
4-BROMODIPHENYL ETHER
4-BROMODIPHENYL OXIDE
4-bromophenoxybenzene
4-BROMOPHENYL PHENYL ETHER
P-BROMODIPHENYL ETHER
P-BROMOPHENYL PHENYL ETHER
1-bromo-4-phenoxy-benzen
4-bromo-diphenylethe
benzene,1-bromo-4-phenoxy-
Diphenyl ether, 4-bromo-
diphenyl,4-bromo-ethe
Ether, 4-bromophenyl phenyl
Ether, p-bromophenyl phenyl
ether,4-bromophenylphenyl
ether,p-bromophenylphenyl
p-(Phenoxy)bromobenzene
p-Bromophenoxybenzene
p-Bromphenyl phenyl ether
Phenyl ether, 4-bromo-
[EINECS(EC#)]

202-952-4
[Molecular Formula]

C12H9BrO
[MDL Number]

MFCD00000094
[Molecular Weight]

249.1
[MOL File]

101-55-3.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow liquid
[Melting point ]

18 °C (lit.)
[Boiling point ]

305 °C (lit.)
[density ]

1.423 g/mL at 25 °C(lit.)
[vapor pressure ]

1.94 x 10-3 mmHg at 25 °C (subcooled liquid, Tittlemier et al., 2002)
[refractive index ]

n20/D 1.607(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in ether (Weast, 1986) and many other solvents including 1,4-dioxane, benzene, and toluene.
[form ]

Liquid
[color ]

Colorless to Almost colorless
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[BRN ]

1308972
[Henry's Law Constant]

2.27 at 25 °C (integrated gas-stripping method, GC, Lau et al., 2006)
[InChI]

1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
[InChIKey]

JDUYPUMQALQRCN-UHFFFAOYSA-N
[SMILES]

Brc1ccc(Oc2ccccc2)cc1
[CAS DataBase Reference]

101-55-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-bromo-4-phenoxy-(101-55-3)
[EPA Substance Registry System]

101-55-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H317-H318-H410
[Precautionary statements ]

P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

N,Xn,F
[Risk Statements ]

R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R38:Irritating to the skin.
R11:Highly Flammable.
R43:May cause sensitization by skin contact.
R41:Risk of serious damage to eyes.
R22:Harmful if swallowed.
[Safety Statements ]

S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29093090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
[Hazardous Substances Data]

101-55-3(Hazardous Substances Data)
[Toxicity]

LC50 (24-h) for Daphnia magna 0.46 mg/L (LeBlanc, 1980).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Triphenylsulfonium trifluoromethanesulfonate-->4-Bromophenol-->1-Bromo-4-iodobenzene-->1-Bromo-4-nitrobenzene-->Phenol
[Preparation Products]

Pyriproxyfen-->4-Phenoxyphenylboronic acid-->4-Phenoxyaniline-->1,4-Diphenoxybenzene-->4-Phenoxyphenol-->4-(4-Bromo-phenoxy)-benzenesulfonyl chloride
Hazard InformationBack Directory
[General Description]

Liquid. Freezing point 18°C. Density 1.423 g/cm3. Insoluble or slightly soluble in water.
[Reactivity Profile]

4-BROMOPHENYL PHENYL ETHER(101-55-3) oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick 1979 p.151-154, 164].
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Combustible.
[Description]

4-Bromophenyl phenyl ether is a brominateddiphenylether and a liquid at common ambient temperatures.Molecular weight=249.10; Boiling point=310.14 ℃;Specific gravity (H2O:1)=1.449 (1.4208 at 20 ℃);Freezing/Melting point=18.72℃; Vapor pressure 50.0015 mmHg at 20℃; Flash point=.110℃. HazardIdentification (based on NFPA-704 M Rating System):Health 1, Flammability 1, Reactivity 0. Poor solubility inwater; solubility=4.8 mg/L at 25℃.
[Chemical Properties]

light yellow liquid
[Definition]

ChEBI: An aromatic ether that is diphenyl ether substituted at position 4 by a bromo group.
[Potential Exposure]

Very little information on 4-bromophenyl phenyl ether exists. It is prepared by brominatingdiphenyl ether with Br2 at 95-100℃ in carbontetrachloride.[US EPA, 1986] 4-Bromophenyl phenyl ether hasbeen identified in raw water, in drinking water, and in riverwater.
[First aid]

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.
[Environmental Fate]

Biological. Using settled domestic wastewater inoculum, 4-bromophenyl phenyl ether (5 and 10 mg/L) did not degrade after 28 d of incubation at 25 °C (Tabak et al., 1981).
Chemical/Physical. At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities were 303, 112, 41, and 15 mg/g, respectively (Dobbs and Cohen, 1980).
[storage]

Color Code—Green: General storage may be used.Store away from heat, flames, or oxidizing materials; etherstend to peroxidize when exposed to air formingunstable peroxides that may detonate with extreme violence.
[Shipping]

The name of this material is not on the DOT listof materials for label and packaging standards. However,based on regulations, it may be classified as anEnvironmentally hazardous substances, liquid, n.o.s. It fallsin Hazard Class 9 and Packing Group III.[20, 21]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromophenoxybenzene(101-55-3).msds
Questions And AnswerBack Directory
[Application]

4-Bromophenoxybenzene is an organic synthesis intermediate and a pharmaceutical intermediate that can be used in laboratory research and development processes as well as in chemical and biological research and development processes.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromophenoxybenzene(101-55-3)MS
4-Bromophenoxybenzene(101-55-3)1HNMR
4-Bromophenoxybenzene(101-55-3)13CNMR
4-Bromophenoxybenzene(101-55-3)IR1
4-Bromophenoxybenzene(101-55-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Bromodiphenyl ether, 99%(101-55-3)
[Sigma Aldrich]

101-55-3(sigmaaldrich)
[TCI AMERICA]

4-Bromodiphenyl Ether,>98.0%(GC)(101-55-3)
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