ChemicalBook--->CAS DataBase List--->591-20-8

591-20-8

591-20-8 Structure

591-20-8 Structure
IdentificationMore
[Name]

3-Bromophenol
[CAS]

591-20-8
[Synonyms]

3-BROMOPHENOL
M-BROMOPHENOL
3-bromo-pheno
Phenol, m-bromo-
3-Bromophenoles
m-Bromophenoles
m-Bromophenol 3-Bromophenol
m-bromophenol(MBP)
3-BROMOPHENOL OEKANAL, 250 MG
3-Bromophenol97%
3-Bromophenol,98+%
3-Brom-phenol
Phenol, 3-bromo-
META-BROMOPHENOL
m-bromophenol (3-isomer)
[EINECS(EC#)]

209-706-5
[Molecular Formula]

C6H5BrO
[MDL Number]

MFCD00002253
[Molecular Weight]

173.01
[MOL File]

591-20-8.mol
Chemical PropertiesBack Directory
[Appearance]

Low-Melting Pale Yellow Semi-Solid
[Melting point ]

30 °C
[Boiling point ]

236 °C(lit.)
[density ]

1,63 g/cm3
[refractive index ]

1.595-1.599
[RTECS ]

SJ7874900
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

alcohol: soluble
[form ]

Liquid
[pka]

9.03(at 25℃)
[color ]

Clear colorless, yellow or brownish
[Specific Gravity]

1.610 (20/4℃)
[Water Solubility ]

insoluble
[Sensitive ]

Light Sensitive
[Usage]

Inhibitor of enzyme
[Detection Methods]

GC
[Merck ]

14,1428
[BRN ]

1853950
[Henry's Law Constant]

4.5×101 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

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

MNOJRWOWILAHAV-UHFFFAOYSA-N
[SMILES]

Oc1cccc(Br)c1
[CAS DataBase Reference]

591-20-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 3-bromo-(591-20-8)
[EPA Substance Registry System]

Phenol, 3-bromo- (591-20-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
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 .
S36/39:Wear suitable protective clothing and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

2811
[WGK Germany ]

3
[F ]

8-10-23
[Hazard Note ]

Harmful/Irritant
[TSCA ]

T
[REACH Registrations]

Inactive
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29081000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

591-20-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium chloride-->Cuprous bromide-->3-Aminophenol
[Preparation Products]

3-Bromoanisole-->6-Bromo-1-benzofuran-2-carboxylic acid-->3-Isopropoxyphenylboronic acid-->4-Bromo-2-hydroxyacetophenone-->4-Isobutoxyphenylboronic acid-->3-Morpholinophenol-->3-Benzyloxybenzeneboronic acid-->2,4-Dinitro-1,3-benzene diol-->4-Bromo-2-hydroxybenzaldehyde-->4-Bromo-2-hydroxybenzonitrile-->3-Cyanophenol-->4-Bromo-2-hydroxybenzoic acid-->4,4'-Sulfonyldiphenol-->3-(Diphenylamino)phenol-->7-Benzofurancarboxaldehyde (9CI)-->3-(Trifluoromethoxy)bromobenzene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromophenol(591-20-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Low-Melting Pale Yellow Semi-Solid
[Uses]

Inhibitor of enzyme
[Application]

3-Bromophenol is an intermediate of organic synthesis and can be used to synthesize 3-bromoanisole; it is also the raw material for the synthesis of anticancer analgesic tramadol, triarylmethane thiophene anti-tuberculosis drugs and 4-aryl piperidine antipruritic drugs.
[Preparation]

3-bromophenol is synthesized by diazotization and bromination of 3-aminophenol. Dissolve 3-aminophenol in sulfuric acid, cool to below 10°C, and add aqueous sodium nitrite dropwise. After the diazotization reaction, the filtrate is filtered and hydrolyzed with cuprous bromide. Then distillation, collect the evaporated liquid with table salt and filter, the filtrate is extracted with ether, the extract is dried, distilled to recover the ether, and then distilled 3-bromophenol.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromophenol(591-20-8)MS
3-Bromophenol(591-20-8)1HNMR
3-Bromophenol(591-20-8)13CNMR
3-Bromophenol(591-20-8)IR1
3-Bromophenol(591-20-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromophenol, 99%(591-20-8)
[Alfa Aesar]

3-Bromophenol, 98+%(591-20-8)
[Sigma Aldrich]

591-20-8(sigmaaldrich)
[TCI AMERICA]

3-Bromophenol,>95.0%(GC)(591-20-8)
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