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(2-Bromo-3-methylphenyl)methanol is an organic compound that belongs to the class of phenols and benzene derivatives. It is a white crystalline solid with the chemical formula C8H9BrO, known for its potential applications in the synthesis of pharmaceuticals and agrochemicals due to its unique structural features.

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  • 168886-97-3 Structure
  • Basic information

    1. Product Name: (2-Bromo-3-methylphenyl)methanol
    2. Synonyms: (2-Bromo-3-methylphenyl)methanol;2-bromo-3-methylbenzyl alcohol
    3. CAS NO:168886-97-3
    4. Molecular Formula: C8H9BrO
    5. Molecular Weight: 201.06046
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 168886-97-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 277.315°C at 760 mmHg
    3. Flash Point: 121.516°C
    4. Appearance: /
    5. Density: 1.482g/cm3
    6. Vapor Pressure: 0.002mmHg at 25°C
    7. Refractive Index: 1.581
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 14.22±0.10(Predicted)
    11. CAS DataBase Reference: (2-Bromo-3-methylphenyl)methanol(CAS DataBase Reference)
    12. NIST Chemistry Reference: (2-Bromo-3-methylphenyl)methanol(168886-97-3)
    13. EPA Substance Registry System: (2-Bromo-3-methylphenyl)methanol(168886-97-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 168886-97-3(Hazardous Substances Data)

168886-97-3 Usage

Uses

Used in Pharmaceutical Industry:
(2-Bromo-3-methylphenyl)methanol is used as a building block for the synthesis of various pharmaceuticals, leveraging its chemical properties to create new drug candidates. Its ability to form carbon-carbon bonds and participate in substitution reactions makes it a valuable intermediate in organic synthesis.
Used in Agrochemical Industry:
In the agrochemical sector, (2-Bromo-3-methylphenyl)methanol is utilized as a precursor in the development of agrochemicals, contributing to the creation of compounds with pesticidal or herbicidal properties, thereby enhancing crop protection strategies.
Used in Organic Synthesis:
(2-Bromo-3-methylphenyl)methanol is used as a reagent in organic synthesis, particularly for the formation of carbon-carbon bonds and substitution reactions, which are fundamental in constructing complex organic molecules.
Used in Antimicrobial and Anti-inflammatory Drug Development:
Given its reported antimicrobial and anti-inflammatory properties, (2-Bromo-3-methylphenyl)methanol is considered a potential candidate for the development of new drugs, particularly for applications where such properties are therapeutically beneficial.
However, it is crucial to handle (2-Bromo-3-methylphenyl)methanol with care due to its toxic and irritating nature, ensuring safety measures are in place to mitigate health and environmental risks during its use in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 168886-97-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,8,8,8 and 6 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 168886-97:
(8*1)+(7*6)+(6*8)+(5*8)+(4*8)+(3*6)+(2*9)+(1*7)=213
213 % 10 = 3
So 168886-97-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H9BrO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5H2,1H3

168886-97-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (2-Bromo-3-methylphenyl)methanol

1.2 Other means of identification

Product number -
Other names o-bromo-m-methylbenzyl alcohol

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:168886-97-3 SDS

168886-97-3Relevant articles and documents

5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY

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Page/Page column 346; 347, (2021/05/21)

The invention relates to heteroaryl compounds, pharmaceutically acceptable salts thereof, and pharmaceutical preparations thereof. Also described herein are compositions and the use of such compounds in methods of treating diseases and conditions mediated by deficient CFTR activity, in particular cystic fibrosis.

APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF

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Paragraph 0340-0341, (2019/02/25)

Provided herein are agonists of the apelin receptor for the treatment of disease. The compounds disclosed herein are useful for the treatment of a range of cardiovascular, renal and metabolic conditions.

Site- and regio-selective incorporation of carbon dioxide into the C(sp2)Si bond of benzosilacyclobutenes

Ishida, Naoki,Okumura, Shintaro,Murakami, Masahiro

supporting information, p. 570 - 572 (2018/04/12)

A reaction of benzosilacyclobutenes with carbon dioxide is catalyzed by a nickel complex having an N-heterocyclic carbene ligand. Carbon dioxide inserts into the C(sp2)Si bond in a site- and regio-selective manner to form a carboncarbon bond, furnishing benzoic acid derivatives.

Structurally and electronically modulated spin interaction of transient biradicals in two photon-gated stepwise photochromism

Yonekawa, Izumi,Mutoh, Katsuya,Kobayashi, Yoichi,Abe, Jiro

, p. 290 - 301 (2018/03/23)

The development of two-photon induced photochromic compounds is important for advanced photoresponsive materials. The utilization of the long-lived transient states or species for two-photon absorption is one of the efficient strategies to realize the advanced photochemical behavior beyond a one-photon photochemical reaction. We have synthesized bi-photochromic compounds composed of two photochromic phenoxyl-imidazolyl radical complex units. The biphotochromic compounds generate two biradical units when the two photochromic units absorb photons with a stepwise manner. The interaction between the two biradicals through the central bridging phenyl ring is the key feature to control the stepwise photochromic reaction. Here, we introduced aromatic spacers in order to modulate the distance and the dihedral angle between the biradical units. The color and the rate of the thermal back reaction of the stepwise photochromism can be regulated by the control of the central bridging part. These results give important insights to develop desirable advanced photoresponsive compounds.

Rh(III)-Catalyzed Phosphine Oxide Migration Reactions: Selective Synthesis of 3-Phosphinoylindoles

Wang, Chun-Hai,Yang, Shang-Dong

supporting information, p. 2401 - 2404 (2018/09/10)

3-Phosphinoylindoles are important components of biological active natural products and materials in pharmaceuticals. Herein, a new approach for the synthesis of 3-phosphinoylindoles has been established by a Rh(III)-catalyzed cyclization from readily acc

Synthesis of original polycycles containing five-, six- and seven-membered rings through cyclocarbopalladations/C–H activation cascade reactions

Joussot, Jessie,Schoenfelder, Angèle,Suffert, Jean,Blond, Ga?lle

, p. 665 - 681 (2017/05/24)

Different types of starting materials have been designed and their ability to undergo cascade reactions has been investigated. New polycycles containing five-, six-, and seven-membered rings are described via original cascade reactions. The process works

PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME

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Paragraph 00202, (2016/10/04)

Provided herein are piperazine carbamates and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL and/or ABHD6. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

DIFLUOROMETHYLENE COMPOUND

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Paragraph 0704; 0705, (2015/06/16)

The present invention relates to a compound having an URAT1 inhibitory activity, and to an URAT1 inhibitor, a blood uric acid level-reducing agent and a pharmaceutical composition containing the compound. More specifically, the present invention relates to a compound represented by the formula (I): wherein R1 is -Q1-A1 or the like; R2 is a hydrogen atom, a halogen atom, a lower alkyl group or the like; W1, W2, W3 and W4 are each independently a nitrogen atom or a methine group optionally having substituents, or the like; X and Y are each a single bond, an oxygen atom or the like; Z is a hydroxyl group or COOR3 or the like.

NOVEL ACYL GUANIDINE DERIVATIVES

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Page/Page column 33, (2011/04/24)

The present invention provides a pharmaceutical which possesses an excellent inhibitory effect on NHE3 (Na+/H+ exchanger type 3) and effectively improves diseases or conditions of organs in which NHE3 is expressed.

AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE

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Page/Page column 54; 55, (2011/08/08)

The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula (I); wherein ring A, B1, B2, B3, L, R1, R2, ring Z, m and n of Formula I are defined herein. The invention also includes use of these compounds in pharmaceutical compositions for treatment, prophylactic or therapeutic, of disorders and conditions related to the activity of beta-secretase protein. Such disorders include, for example, Alzheimer's Disease (AD), cognitive deficits, cognitive impairment, schizophrenia and other central nervous system conditions related to and/or caused by the formation and/or deposition of plaque on the brain. The invention also comprises further embodiments of Formula (I), intermediates and processes useful for the preparation of compounds of Formula (I).

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