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ChemicalBook--->CAS DataBase List--->106-41-2

106-41-2

106-41-2 Structure

106-41-2 Structure
IdentificationMore
[Name]

4-Bromophenol
[CAS]

106-41-2
[Synonyms]

4-BROMOHYDROXYBENZENE
4-BROMOPHENOL
4-Bromophenol p-Bromophenol
AKOS BBS-00004402
BROMOPHENOL-4
P-BROMOPHENOL
1,4-bromophenol
4-bromo-pheno
p-bromohydroxybenzene
p-bromophenicacid
p-bromo-pheno
Phenol, 4-bromo-
Phenol, p-bromo-
Phenol,4-bromo-
4-Bromophbenol
4-Bromophenoles
p-Bromophenoles
p-Bromophenol 4-Bromophenol
4-BROMOPHENOL, 1000MG, NEAT
Para Bromo Phenol
[EINECS(EC#)]

203-394-4
[Molecular Formula]

C6H5BrO
[MDL Number]

MFCD00002313
[Molecular Weight]

173.01
[MOL File]

106-41-2.mol
Chemical PropertiesBack Directory
[Appearance]

pinkish-brown crystalline solid
[Melting point ]

61-64 °C (lit.)
[Boiling point ]

235-236 °C (lit.)
[density ]

1.84
[refractive index ]

1.5085 (estimate)
[Fp ]

235-238°C
[storage temp. ]

room temp
[solubility ]

14g/l
[form ]

Crystalline Solid
[pka]

9.37(at 25℃)
[color ]

Pinkish-brown
[Water Solubility ]

It is insoluble in water. It is soluble in 5%ethanol.
[Usage]

Intermediates of Liquid Crystals
[λmax]

282nm(EtOH)(lit.)
[Merck ]

14,1428
[BRN ]

1680024
[CAS DataBase Reference]

106-41-2(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Bromophenol(106-41-2)
[Storage Precautions]

Store under inert gas;Light sensitive
[EPA Substance Registry System]

Phenol, 4-bromo- (106-41-2)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

2
[RTECS ]

SJ7960000
[F ]

8-10-23
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29081900
[Hazardous Substances Data]

106-41-2(Hazardous Substances Data)
[Toxicity]

mouse,LD50,intraperitoneal,411mg/kg (411mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Government regulation-->Carbon disulfide
[Preparation Products]

1-Benzofuran-5-carbaldehyde-->BENZOFURAN-5-BORONIC ACID-->5-BROMO-2-BENZOXAZOLINONE 97-->2-Amino-4-bromophenol-->5-BROMO-2(3H)-BENZOXAZOLONE-->6-BROMO-2H-1,4-BENZOXAZIN-3(4H)-ONE-->1-BENZOFURAN-5-CARBONITRILE-->6-bromo-3,4-dihydro-2H-chromen-4-ol-->5-Bromo-1-benzofuran-->N-[2-(4-Bromophenoxy)ethyl]pyrrolidine-->4-Bromoanisole-->4-Benzyloxybenzeneboronic acid-->4-ISOBUTOXYPHENYLBORONIC ACID-->4-Bromo-2-nitrophenol-->4-Bromo-2-chlorophenol-->6-Bromo-2,3-dihydro-4H-chromen-4-one-->4-Hydroxyphenylboronic acid-->Tamoxifen citrate-->Disperse Red 207-->3-(4-BROMOPHENOXY)PROPANOIC ACID-->O,O-Di(4-bromophenyl)thiophosphoryl chloride
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromophenol(106-41-2).msds
Hazard InformationBack Directory
[Chemical Properties]

4-Bromophenol is a pinkish-brown crystalline solid. four-sided biconical crystal precipitated from ether or chloroform. The melting point is 66.4 ℃, and a small amount of water can reduce the melting point a lot. Soluble in water, chloroform, easily soluble in ethanol, ether and glacial acetic acid, soluble in 7 parts of water.
[Uses]

4-Bromophenol is used as an intermediate in medicine grade. It is also used as a phenol that is used in Stille reactions. It is used in the intermediate of organic synthesis, flame retardant and pharmaceutical industry.
[Application]

4-Bromophenol is a phenolic derivative that It can used as a reagent in Stille reactions or Intermediates of Liquid Crystals.
[Definition]

ChEBI: 4-bromophenol is a bromophenol containing only hydroxy and bromo substituents that are para to one another. It has a role as a mouse metabolite, a persistent organic pollutant, a human xenobiotic metabolite, a rat metabolite, a human urinary metabolite and a marine metabolite.
[Preparation]

4-Bromophenol is synthesized by bromination of phenol. The bromine and carbon disulfide solution was added to the phenolic carbon disulfide solution, and the addition was started below 5°C, and the addition was completed under stirring for 2 hours. Phenol and bromine are approximately equimolar ingredients. Distill the reactant to remove carbon disulfide, and then conduct fractional distillation under reduced pressure to collect fractions at 145-150°C (3.32-3.99kPa) to obtain the product. Yield 80-84%.
[Synthesis Reference(s)]

Tetrahedron, 45, p. 7869, 1989 DOI: 10.1016/S0040-4020(01)85800-2
The Journal of Organic Chemistry, 23, p. 280, 1958 DOI: 10.1021/jo01096a033
[Purification Methods]

Crystallise the phenol from CHCl3, CCl4, pet ether (b 40-60o), or water and dry it at 70o under vacuum for 2hours. [Beilstein 6 IV 1043.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromophenol(106-41-2)MS
4-Bromophenol(106-41-2)1HNMR
4-Bromophenol(106-41-2)13CNMR
4-Bromophenol(106-41-2)IR1
4-Bromophenol(106-41-2)IR2
4-Bromophenol(106-41-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromophenol, 99%(106-41-2)
[Alfa Aesar]

4-Bromophenol, 99%(106-41-2)
[Sigma Aldrich]

106-41-2(sigmaaldrich)
[TCI AMERICA]

4-Bromophenol,>98.0%(GC)(106-41-2)
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