ChemicalBook--->CAS DataBase List--->95-56-7

95-56-7

95-56-7 Structure

95-56-7 Structure
IdentificationMore
[Name]

2-Bromophenol
[CAS]

95-56-7
[Synonyms]

2-BROMO-1-HYDROXYBENZENE
2-BROMOPHENOL
O-BROMOPHENOL
2-Bromfenol
2-bromo-pheno
o-bromo-pheno
Phenol, o-bromo-
2-BROMOPHENOL OEKANAL, 250 MG
2-Bromophenol, 98+%
o-BROMO PHENOL (2-BROMO PHENOL)
Phenol, 2-bromo-
o-bromophenic acid
ORTHO-BROMOPHENOL
o-bromophenol (2 isomer)
[EINECS(EC#)]

202-432-7
[Molecular Formula]

C6H5BrO
[MDL Number]

MFCD00002146
[Molecular Weight]

173.01
[MOL File]

95-56-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

5 °C
[Boiling point ]

195 °C(lit.)
[density ]

1.492 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.589(lit.)
[Fp ]

108 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

8.45(at 25℃)
[color ]

Clear colorless to slightly yellow
[Water Solubility ]

soluble
[Sensitive ]

Light Sensitive
[Detection Methods]

GC,NMR
[Merck ]

14,1428
[BRN ]

1905115
[InChI]

1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
[InChIKey]

VADKRMSMGWJZCF-UHFFFAOYSA-N
[SMILES]

Oc1ccccc1Br
[CAS DataBase Reference]

95-56-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 2-bromo-(95-56-7)
[EPA Substance Registry System]

95-56-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H226-H302-H315-H319-H335-H400
[Precautionary statements ]

P210-P273-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,F,Xi
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

SJ7875000
[F ]

8-10-23
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29081990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

95-56-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenol, 2-bromo-, 1-benzenesulfonate-->1-broMo-2-(but-3-enyloxy)benzene-->4-Bromophenyl trifluoromethanesulfonate-->2-Bromophenylboronic acid-->1-BroMo-2-(2-propen-1-yloxy)-benzene-->4-Hydroxyphenylboronic acid pinacol ester
[Preparation Products]

2-Isopropoxyphenylboronic acid-->2,3-Dihydrobenzo[b]furan-5-carbaldehyde-->2-Benzyloxyphenylboronic acid-->4-Bromophenol-->2-Bromoanisole-->2-Chlorophenol-->1-Bromo-2-(tert-butoxy)benzene-->1,4-Benzodioxan-->5-Bromo-3,3-dimethyl-2,3-dihydrobenzofuran-->2-Bromo-6-nitrophenol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Bromophenol(95-56-7).msds
Hazard InformationBack Directory
[Description]

2-Bromophenol is an organic substance in which the C2 position of the benzene ring is replaced by a bromine, also known as o-bromophenol.
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

2-Bromophenol is used in organic synthesis to prepare anti-benzofurandiimide. It can also be used as a disinfectant.
[Definition]

ChEBI: 2-bromophenol is a bromophenol. It has a role as a marine metabolite.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 64, p. 1128, 1942 DOI: 10.1021/ja01257a035
The Journal of Organic Chemistry, 32, p. 2358, 1967 DOI: 10.1021/jo01282a063
[Toxicology]

2-Bromophenol is moderately acutely orally toxic to mice, and it exhibits strong irritant properties.
[Synthesis]

To a stirred solution of appropriate organoboronic acids (0.5 mmol, 1.0 equiv.) and Et3N(1.0 mmol, 2.0 equiv.) in CH3CN(acetonitrile: 3 mL, H2O: 11μL, 0.6mmol, 1.2 equiv.), DAIB (0.75 mmol, 1.5 equiv.),dissolved in acetonitrile (2mL) was added drop wise at room temperature and the mixture was allowed to stir for 10 minutes at that temperature. After completion of the reaction indicated by TLC, the reaction mixture was washed with distilled water (3×7 mL) and extracted with CH2Cl2(3×10 mL). The combined organic phase was dried over Na2SO4 and after evaporating the solvent, the residue was purified by column chromatography over silica gel using hexane/EtOAc as eluent to provide the pure target product 2-Bromophenol.
95-56-7.png
[Purification Methods]

Purify the phenol by at least two passes through a chromatographic column and distil it. [Beilstein 6 IV 1037.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromophenol(95-56-7)MS
2-Bromophenol(95-56-7)1HNMR
2-Bromophenol(95-56-7)13CNMR
2-Bromophenol(95-56-7)IR1
2-Bromophenol(95-56-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromophenol, 98%(95-56-7)
[Alfa Aesar]

2-Bromophenol, 98%(95-56-7)
[Sigma Aldrich]

95-56-7(sigmaaldrich)
[TCI AMERICA]

2-Bromophenol,>98.0%(GC)(T)(95-56-7)
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