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4-Bromobenzylisothiocyanate, with the molecular formula C8H6BrNS, is an isothiocyanate derivative of 4-bromobenzyl alcohol. It is a chemical compound known for its strong and pungent odor, and is widely recognized for its applications in organic chemistry as a reagent for synthesizing a variety of organic compounds. This versatile compound is also a key intermediate in the synthesis of biologically active compounds, making it a valuable tool in pharmaceutical development and organic chemistry research.

2076-56-4

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2076-56-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromobenzylisothiocyanate is used as a key intermediate for the synthesis of biologically active compounds, contributing to the development of new drugs and medicines. Its unique chemical properties allow it to be a versatile building block in the creation of pharmaceutical formulations.
Used in Organic Chemistry Research and Development:
In the realm of organic chemistry, 4-Bromobenzylisothiocyanate serves as a valuable reagent for the synthesis of various organic compounds. Its ability to react with a range of other chemicals makes it instrumental in the discovery and production of novel chemical entities.
Used in Pesticide Production:
4-Bromobenzylisothiocyanate is utilized as a component in the production of pesticides. Its strong odor and reactivity make it suitable for creating effective pest control agents, contributing to agricultural and environmental management strategies.
Each of these applications highlights the diverse utility of 4-Bromobenzylisothiocyanate, underscoring its importance across different sectors of the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 2076-56-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,0,7 and 6 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2076-56:
(6*2)+(5*0)+(4*7)+(3*6)+(2*5)+(1*6)=74
74 % 10 = 4
So 2076-56-4 is a valid CAS Registry Number.

2076-56-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-4-(isothiocyanatomethyl)benzene

1.2 Other means of identification

Product number -
Other names 4-bromo-benzyl isothiocyanate

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:2076-56-4 SDS

2076-56-4Downstream Products

2076-56-4Relevant academic research and scientific papers

Application of sulfur-containing isocyanate compounds in growth inhibition of blue-green algae

-

Paragraph 0042-0048; 0099-0103, (2020/04/29)

The invention relates to the application of sulfur-containing isocyanate compounds in the growth inhibition of blue-green algae. The compounds have structures as shown in a general formula I and a general formula II. In the general formula I, R1 represents a methyl group, a phenethyl group, a phenyl group, 4-methylpyridine or 3-methylpyridine. In the general formula II, M represents a carbonyl group, a methylene group and a methylene phenyl group; R3 represents hydrogen or chlorine; R4 represents oxygen, hydrogen, fluorine or chlorine; R5 represents oxygen, hydrogen, chlorine, a methyl group,fluorine, a benzene ring, bromine or a trifluoromethyl group; when R4 and R5 are oxygen, R4 and R5 are cyclized to form 1,3-dioxocyclopentene; R6 represents hydrogen, fluorine, bromine, a trifluoromethyl group, a methyl group and chlorine; and R7 represents hydrogen, a trifluoromethyl group, chlorine and bromine. The sulfur-containing isocyanate compounds with the structures as shown in the general formulas I and II provided by the invention have relatively good inhibition effect on blue-green algae, and can be used as an effective component of a blue-green algae algicide.

Reaction of Thiocarbonyl Fluoride Generated from Difluorocarbene with Amines

Yu, Jiao,Lin, Jin-Hong,Xiao, Ji-Chang

supporting information, p. 16669 - 16673 (2017/12/07)

The reaction of thiocarbonyl fluoride, generated from difluorocarbene, with various amines under mild conditions is described. Secondary amines, primary amines, and o-phenylenediamines are converted to thiocarbamoyl fluorides, isothiocyanates, and difluoromethylthiolated heterocycles, respectively. Thiocarbamoyl fluorides were further transformed into trifluoromethylated amines by using a one-pot process. Thiocarbonyl fluoride is generated in situ and is rapidly fully converted in one pot under mild conditions; therefore, no special safety precautions are needed.

AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE

-

Paragraph 0339, (2014/05/20)

The present invention relates to the filed of pharmarcutical chemistry, and in particular, to a novel class of azole compounds represented by general formula (I), (II) or (III) amd a preparation method thereof, a pharmarcutical composition with the compounds as active components, and a use of the azole compounds and the pharmarcutical composition in the preparation of a medicament for treatment of diseases associated with Lp-PLA2 enzyme activities, wherein each substituent is as deinfed in the specifictaion.

AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE

-

Paragraph 0690, (2014/06/25)

The present invention relates to the field of pharmaceutical chemistry, and in particular, to a novel class of azole compounds represented by general formula (I), (II) or (III) and a preparation method thereof, a pharmaceutical composition with the compounds as active components, and a use of the azole compounds and the pharmaceutical composition in the preparation of a medicament for treatment of diseases associated with Lp-PLA2 enzyme activities, wherein each substituent is as defined in the specification.

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

-

Paragraph 0094; 0096; 0107, (2013/05/21)

The present invention provides glucosinolate and isothiocyanate compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIOS CONTAINING SAME

-

Page/Page column 29-30, (2008/06/13)

The present invention provides glucosinolate and isothiocyante compounds and related methods for synthesizing these compounds and analogs. In certain embodiments, these glucosinolate and isothiocyanate compounds are useful and chemopreventive and or chemotherapeutic agents.

Isothiocyanates from tosyl chloride mediated decomposition of in situ generated dithiocarbamic acid salts

Wong, Rince,Dolman, Sarah J.

, p. 3969 - 3971 (2008/02/01)

(Chemical Equation Presented) A facile and general protocol for the preparation of isothiocyanates from alkyl and aryl amines is reported. This method relies on a tosyl chloride mediated decomposition of a dithiocarbamate salt that is generated in situ by treatment of an amine with carbon disulfide and triethylamine. Utilizing this protocol, we have prepared 19-alkyl- and arylisothiocyanates in moderate to excellent yield.

Characterization of the binding site of the histamine H3 receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide

Windhorst, Albert D.,Timmerman, Henk,Worthington, Edward A.,Bijloo, Greetje J.,Nederkoorn, Paul H. J.,Menge, Wiro M. P. B.,Leurs, Rob,Herscheid, Jacobus D. M.

, p. 1754 - 1761 (2007/10/03)

A series of monosubstituted benzyl analogues of the histamine H3 receptor antagonist thioperamide were synthesized and evaluated for their histamine H3 receptor activity on the guinea pig jejunum. Incorporation of Cl, Br, and I at th

2,4-Bisimino-1,3-diazetidines: Iminophosphoranes, Carbodiimides and Related Betaines

Molina, Pedro,Alajarin, Mateo,Lopez-Leonardo, Carmen,Cano, Felix Hernandez,Llamas-Saiz, Antonio L.,et al.

, p. 199 - 210 (2007/10/02)

Iminophosphoranes 2 and 3 derived from 4-amino-6-methyl-3-methylthio-4,5-dihydrotriazin-5-one react with primary isocyanates or isothiocyanates to give the betaines 8 and 9, respectively; however, the reaction with isopropyl and tert-butyl isocyana

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