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3,5-Dibromophenol is an organic compound characterized by its white to brown solid appearance. It is a derivative of phenol, with two bromine atoms attached at the 3rd and 5th positions on the benzene ring. This structural feature endows 3,5-Dibromophenol with unique chemical properties that make it suitable for various applications across different industries.

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  • 626-41-5 Structure
  • Basic information

    1. Product Name: 3,5-Dibromophenol
    2. Synonyms: 3 5-DIBROMOPHENOL 97;3,5-Dibromophenol 98%;3,5-Dibromophenol;Phenol, 3,5-dibroMo-
    3. CAS NO:626-41-5
    4. Molecular Formula: C6H4Br2O
    5. Molecular Weight: 251.9
    6. EINECS: N/A
    7. Product Categories: blocks;Bromides;Organic Building Blocks;Oxygen Compounds;Phenols
    8. Mol File: 626-41-5.mol
  • Chemical Properties

    1. Melting Point: 79-83 °C(lit.)
    2. Boiling Point: 122°C/3mmHg(lit.)
    3. Flash Point: 122 °C
    4. Appearance: White crystal
    5. Density: 1.8854 (rough estimate)
    6. Vapor Pressure: 0.00257mmHg at 25°C
    7. Refractive Index: 1.5380 (estimate)
    8. Storage Temp.: Keep Cold
    9. Solubility: N/A
    10. PKA: pK1:8.056 (25°C)
    11. Water Solubility: Sightly soluble in water. Soluble in methanol.
    12. CAS DataBase Reference: 3,5-Dibromophenol(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3,5-Dibromophenol(626-41-5)
    14. EPA Substance Registry System: 3,5-Dibromophenol(626-41-5)
  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 22-36/37/38
    3. Safety Statements: 26-36
    4. RIDADR: UN 2811 6.1/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup:
    9. Hazardous Substances Data: 626-41-5(Hazardous Substances Data)

626-41-5 Usage

Uses

Used in Pharmaceutical Industry:
3,5-Dibromophenol is used as a pharmaceutical intermediate for the synthesis of various drugs. Its chemical structure allows for further functionalization and modification, making it a versatile building block in the development of new pharmaceutical compounds.
Used in Chemical Industry:
In the chemical industry, 3,5-Dibromophenol is utilized in the preparation of aromatic polyesters. These polyesters are high-performance polymers known for their excellent mechanical properties, thermal stability, and chemical resistance. They find applications in a wide range of fields, including packaging, automotive, and electronics.
Used in Medical Applications:
3,5-Dibromophenol is also employed in the development of drugs for arthritis. Its chemical properties make it a potential candidate for the treatment of this chronic condition, which affects millions of people worldwide. By targeting specific biological pathways involved in the inflammation and pain associated with arthritis, 3,5-Dibromophenol-based drugs may offer relief and improve the quality of life for patients suffering from this debilitating disease.

Check Digit Verification of cas no

The CAS Registry Mumber 626-41-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 6 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 626-41:
(5*6)+(4*2)+(3*6)+(2*4)+(1*1)=65
65 % 10 = 5
So 626-41-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

626-41-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-Dibromophenol

1.2 Other means of identification

Product number -
Other names Phenol,3,5-dibromo

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:626-41-5 SDS

626-41-5Relevant articles and documents

A practical method for preparation of phenols from arylboronic acids catalyzed by iodopovidone in aqueous medium

Dong, Bin,Ke, Yanxiong,Lu, Guangying,Ren, Jiangmeng,Ren, Yaoyao,Zeng, Bu-Bing,Zhou, Bin

, (2019/09/06)

A novel and efficient strategy for the ipso-hydroxylation of arylboronic acids to phenols has been developed using inexpensive, readily available, air-stable water-soluble povidone iodine as catalyst and aqueous hydrogen peroxide as oxidizing agent. The reactions were performed at room temperature under metal-, ligand- and base-free condition in a short reaction time. The corresponding substituted phenols were obtained in moderate to good yields by oxidative hydroxylation of arylboronic acids in aqueous medium.

A containing pyrimidine group rigid conjugated macrocyclic compound and its preparation method and application (by machine translation)

-

, (2017/05/18)

The invention relates to a containing pyrimidine group rigid conjugated macrocyclic compound and its preparation method and application, structure of the compound of the general formula: wherein n=1, 2, 3, 4, 5. The preparation comprises: to the rigid part of the 3, 5 - dibromide fluoride as the raw material for the synthesis of 3, 5 - di bromo methyl ether, then tribromide the boron escapes methylation reaction for the synthesis of 3, 5 - two-bromophenol, the linear part of the 3 - chloro - 2 - chloromethyl propylene as the starting material, to obtain the linear part of the intermediate, after 3, 5 - b bromophenol under alkaline conditions with the linear part of the intermediate synthesis of 3, 5 - b bromophenylacetic long chain ether, using 3, 5 - b bromophenylacetic long chain ethergathers two boron mellowly with dual-frequency which Miyaura reaction on synthetic monomer II; monomer II with 5 - bromo - 2 through the Suzuki coupling reaction of iodine pyrimidine synthetic monomer III; the use of monomer II and monomer III Suzuki coupling to get through. The invention the resulting compounds as functional material application. (by machine translation)

Photosensitive chiral self-assembling materials: Significant effects of small lateral substituents

Cigl, Martin,Bubnov, Alexej,Ka?par, Miroslav,Hampl, Franti?ek,Hamplová, Věra,Pacherová, Oliva,Svoboda, Ji?í

supporting information, p. 5326 - 5333 (2016/07/06)

Novel azobenzene-based photosensitive mesogens with lactate chiral units were synthesized. In order to modify the rate of the thermal Z-E isomerization of these compounds, small lateral substituents were introduced into their core in the proximity of the azo group. The influence of lateral substitution on the kinetics of the Z-E isomerization, mesomorphic behaviour, and UV-Vis absorption spectra was studied. It was found that the position of the substituents in the azobenzene core significantly affects the rate of their thermal isomerization. The stability of Z-isomers of several studied compounds is comparable to that of compounds with complex molecular structures designed for optical data storage. Although lateral substitution influences the breadth/length ratio of the core, liquid-crystalline properties of the studied materials have been preserved.

Modular syntheses of star-shaped pyridine, bipyridine, and terpyridine derivatives by employing sonogashira reactions

Trawny, Daniel,Kunz, Valentin,Reissig, Hans-Ulrich

, p. 6295 - 6302 (2015/03/30)

A simple and flexible synthesis for a series of star-shaped pyridine, bipyridine, and terpyridine derivatives is reported by using a modular approach that combines the use of a ligand, spacer, and core unit. A fairly efficient method to prepare 4′-nonafloxy-functionalized terpyridine derivatives is described. The building blocks that contain the functionalized pyridine, bipyridine, or terpyridine derivatives were linked to different C3-symmetrical core units. In most cases, Sonogashira reactions were employed in the crucial final steps of the synthesis. A star-shaped dodecafluorinated compound was also prepared in a straightforward fashion. A simple procedure for the preparation of partially silylated 1,3,5-triethynylbenzene derivatives is presented, which provides an approach to C2-symmetrical star-shaped compounds that have only one terpyridine and two terphenyl units as "dummy" ligands. The absorption and emission spectra of the fully conjugated C3-symmetrical pyridine derivatives were systematically investigated, and fairly large Stokes shifts were observed.

Charge-transfer-featured materials - Promising hosts for fabrication of efficient OLEDs through triplet harvesting via triplet fusion

Zhou, Jie,Chen, Ping,Wang, Xu,Wang, Yan,Wang, Yi,Li, Feng,Yang, Minghui,Huang, Yan,Yu, Junsheng,Lu, Zhiyun

, p. 7586 - 7589 (2014/07/08)

A charge-transfer-featured naphthalimide derivative with a small exchange energy but a lower lying 3ππ* state than 3CT state is found to contribute to triplet harvesting through a P-type rather than an E-type delayed fluorescence, and could act as a quite promising host to achieve highly efficient OLEDs.

Organic and organometallic nanofibers formed by supramolecular assembly of diamond-shaped macrocyclic ligands and PdII complexes

Kuritani, Masumi,Tashiro, Shohei,Shionoya, Mitsuhiko

supporting information, p. 1368 - 1371 (2013/07/26)

Stacked rings: A diamond-shaped macrocycle with two inward phenanthroline ligands and outward long alkyl chains, and its PdII complex form organic and organometallic fibrous aggregates, respectively, as revealed by NMR, UV/Vis, AFM, and TEM measurements. The most likely structures are face-to-face stacked macrocycles, generating nanotubes.

Halide-guided oligo(aryl-triazole-amide)s foldamers: Receptors for multiple halide ions

Wang, Ying,Xiang, Junfeng,Jiang, Hua

supporting information; experimental part, p. 613 - 619 (2011/03/18)

We synthesized and characterized a series of oligo(phenyl-amide-triazole)s that can fold into a helical conformation guided by halide ions. Their binding models and affinities are highly dependent on the length of the foldamer, media and the inducing capa

HETEROCYCLIC ANTIVIRAL COMPOUNDS

-

, (2011/09/16)

The present invention relates to a method of treating an HIV-I infection with a compound according to formula I where R1, R2, R3, R4, R5, are as defined herein.

Synthesis and pharmacological evaluation of N -(3-(1 H -Indol-4-yl)-5-(2- methoxyisonicotinoyl)phenyl)methanesulfonamide (LP-261), a potent antimitotic agent

Shetty, Rupa S.,Lee, Younghee,Liu, Bin,Husain, Arifa,Joseph, Rhoda W.,Lu, Yixin,Nelson, David,Mihelcic, John,Chao, Wenchun,Moffett, Kristofer K.,Schumacher, Andreas,Flubacher, Dietmar,Stojanovic, Aleksandar,Bukhtiyarova, Marina,Williams, Ken,Lee, Kyoung-Jin,Ochman, Alexander R.,Saporito, Michael S.,Moore, William R.,Flynn, Gary A.,Dorsey, Bruce D.,Springman, Eric B.,Fujimoto, Ted,Kelly, Martha J.

, p. 179 - 200 (2011/03/19)

The synthesis and optimization of a series of orally bioavailable 1-(1H-indol-4-yl)-3,5-disubstituted benzene analogues as antimitotic agents are described. A functionalized dibromobenzene intermediate was used as a key scaffold, which when modified by sequential Suzuki coupling and Buchwald-Hartwig amination provided a flexible entry to 1,3,5-trisubstituted phenyl compounds. A 1H-indol-4-yl moiety at the 1-position was determined to be a critical feature for optimal potency. The compounds have been shown to induce cell cycle arrest at the G2/M phase and demonstrate efficacy in both cell viability and cell proliferation assays. The primary site of action for these agents is revealed by their colchicine competitive inhibition of tubulin polymerization, and a computational model has been developed for the association of these compounds to tubulin. An optimized lead LP-261 significantly inhibits growth of a human non-small-cell lung tumor (NCI-H522) in a mouse xenograft model.

A synthesis of 3,5-disubstituted phenols

Davidson, James P.,Sarma, Keshab,Fishlock, Dan,Welch, Michael H.,Sukhtankar, Sunil,Lee, Gary M.,Martin, Michael,Cooper, Gary F.

experimental part, p. 477 - 480 (2011/04/22)

Robust and scalable syntheses of some synthetically useful 3,5- disubstituted phenols are presented. The process involves the selective displacement of a halogen by nucleophilic aromatic substitution using a preformed mixture of potassium tert-butoxide and p-methoxybenzyl alcohol (PMB-OH), followed by deprotection of the PMB ether with acid in the presence of 1,3-dimethoxybenzene. These processes have been demonstrated on kilogramscale, providing crystalline phenols in good yield and high purity.

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