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Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-, also known as 5-Bromo-3-fluoro-2-hydroxybenzonitrile, is a chemical compound with the molecular formula C7H3BrFNO. It is a white to off-white crystalline solid with a molecular weight of 209.01 g/mol. Benzonitrile, 5-bromo-3-fluoro-2-hydroxyis characterized by the presence of a nitrile group, a hydroxyl group, a bromine atom, and a fluorine atom attached to a benzene ring, which contributes to its unique chemical properties and reactivity.

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  • 876918-40-0 Structure
  • Basic information

    1. Product Name: Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-
    2. Synonyms: Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-;5-Bromo-3-fluoro-2-hydroxybenzonitrile
    3. CAS NO:876918-40-0
    4. Molecular Formula: C7H3BrFNO
    5. Molecular Weight: 216
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 876918-40-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-(876918-40-0)
    11. EPA Substance Registry System: Benzonitrile, 5-bromo-3-fluoro-2-hydroxy-(876918-40-0)
  • 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: 876918-40-0(Hazardous Substances Data)

876918-40-0 Usage

Uses

Used in Pharmaceutical Industry:
Benzonitrile, 5-bromo-3-fluoro-2-hydroxyis used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into various drug molecules. Its unique functional groups allow for the formation of diverse chemical bonds, making it a valuable building block in the development of new medications.
Used in Agrochemical Industry:
In the agrochemical industry, Benzonitrile, 5-bromo-3-fluoro-2-hydroxyis utilized as an intermediate in the production of agrochemicals. Its structural features enable it to be a key component in the synthesis of pesticides, herbicides, and other agricultural chemicals, contributing to the development of effective and targeted products for crop protection.
Used in Organic Chemistry:
Benzonitrile, 5-bromo-3-fluoro-2-hydroxyis also used in the production of other organic compounds. Its versatile structure allows it to be a precursor in the synthesis of various organic molecules, which can be further utilized in different chemical and industrial applications.
Safety Considerations:
5-Bromo-3-fluoro-2-hydroxybenzonitrile is a potentially hazardous chemical and should be handled with care, following proper safety protocols. This includes wearing appropriate personal protective equipment, working in a well-ventilated area, and adhering to guidelines for storage and disposal to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 876918-40-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,6,9,1 and 8 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 876918-40:
(8*8)+(7*7)+(6*6)+(5*9)+(4*1)+(3*8)+(2*4)+(1*0)=230
230 % 10 = 0
So 876918-40-0 is a valid CAS Registry Number.

876918-40-0SDS

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 5-Bromo-3-fluoro-2-hydroxybenzonitrile

1.2 Other means of identification

Product number -
Other names -

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:876918-40-0 SDS

876918-40-0Relevant articles and documents

PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR

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, (2021/06/03)

The present invention discloses a series of pyrazolopyrimidine derivatives and use thereof in preparing a medicament for treating a disease related to PI3K, and in particular, discloses a derivative compound of formula (I), a tautomer thereof or a pharmaceutically acceptable composition thereof.

HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

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Paragraph 0851; 0853, (2020/12/08)

Disclosed in the present invention are a heterocyclic compound, an application thereof and a pharmaceutical composition comprising the same. Provided by the present invention are a heterocyclic compound represented by formula I or a pharmaceutically acceptable salt thereof. The compound has a novel structure and a good inhibitory activity against autotaxin (ATX).

TANK-BINDING KINASE INHIBITOR COMPOUNDS

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Paragraph 0941, (2016/05/02)

Compounds having the following formula (I) and methods of their use and preparation are disclosed:

COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF

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Page/Page column 236, (2010/11/03)

Provided herein are compounds and methods of synthesis thereof. The compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, psychiatric disorders, neuromuscular disorders, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds provided herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER

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, (2008/12/09)

An object of the present invention is to provide an agent for treating or preventing digestive ulcer that is effective even to ulcer of small intestine and others, for which gastric acid secretion inhibitors such as proton pump inhibitors are ineffective, and is superior to allopurinol in the efficaciousness and the safety. The pharmaceutical composition of the present invention comprising a non-purine xanthine oxidase inhibitor as the active ingredient is useful as an agent for treating or preventing ulcer that forms in digestive tracts by the attack of gastric acid, pepsin, stress, Helicobacter pylori bacteria, NSAID, etc. In particular, it is useful as an ulcer remedy heretofore unknown in the art as it is effective even for ulcer in small intestine for which gastric/duodenal ulcer remedies that inhibit gastric acid secretion such as proton pump inhibitors are ineffective.

2-PHENYLPYRIDINE DERIVATIVE

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, (2008/06/13)

The present invention relates to a novel 2-phenylpyridine derivative or a salt thereof, wherein the pyridine ring is substituted with a carboxyl group or the like and the benzene ring has an electron-withdrawing group such as a cyano group and an electron-donating group such as a substituted alkoxy group at the same time. Since the compound of the invention has good xanthine oxidase-inhibitory action and uric acid-lowering action and does not have a structure derived from nucleic acid, the compound has advantages of high safety and excellent effects as compared with conventional compounds and is useful as a therapeutic or preventive agent for hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy, or the like.

2-PHENYLTHIOPHENE DERIVATIVE

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Page/Page column 17, (2008/06/13)

The present invention relates to a 2-phenylthiophene derivative or a salt thereof, wherein the thiophene ring is substituted with a carboxyl group or the like and the benzene ring has an electron-withdrawing group such as a cyano group and an electron-donating group such as a substituted alkoxy group at the same time. Since the compound of the invention has good xanthine oxidase-inhibitory action and uric acid-lowering action and does not have a structure derived from nucleic acid, the compound has advantages of high safety and excellent effects as compared with conventional compounds and is useful as a therapeutic or preventive agent for hyperuricemia, gout, inflammatory bowel diseases, diabetic kidney diseases, diabetic retinopathy, or the like.

2-PHENYLPYRIDINE DERIVATIVE

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Page/Page column 26, (2008/06/13)

A 2-phenylpyridine derivative represented by the following general formula (I) or a salt thereof. The compounds have satisfactory xanthine oxidase inhibitory activity and uric acid-lowering activity and are useful as a therapeutic or preventive agent for hyperuricemia, gout, inflammatory intestinal diseases, diabetic nephropathy, diabetic retinopathy, etc. [The symbols in the formula have the following meanings: R1: H, etc.; R2: -CO2H, etc.; R3 and R4: H, etc.; R5: -CN, etc.; R6: H, etc.; X: -O-, -N(R8)-, or -S-; (provided that the groups represented by R5 and -X-R7 are bonded in a meta position or the para position to the pyridyl group) R8: H, etc.; R7: C1-8 linear or branched alkyl, etc.; Y: a bond, etc.; and R9, R10, and R11: H, etc. (provided that when X is -N(R8)-, then R8 may be bonded to R7 to form a nitrogenous saturated heterocycle in cooperation with the adjacent nitrogen atom).]

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