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2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is a chemical compound with the molecular formula C8H5BrClNCS. It is a benzene derivative featuring a bromomethyl group, a chloro group, and an isothiocyanate group attached to the benzene ring. 2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is known for its high reactivity, which makes it a valuable reagent in organic synthesis and a precursor in the production of pharmaceuticals and agrochemicals. Due to its reactive nature, it requires careful handling and appropriate safety measures in laboratory settings.

115134-60-6

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115134-60-6 Usage

Uses

Used in Organic Synthesis:
2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is used as a reagent in organic synthesis for the preparation of various organic compounds. Its unique functional groups allow for versatile reactions, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is used as a key intermediate in the synthesis of drugs. Its presence in the molecular structure can contribute to the biological activity of the final product, making it an essential component in the development of new medications.
Used in Agrochemical Synthesis:
Similarly, in the agrochemical sector, 2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is utilized as a precursor in the production of agrochemicals. Its reactive functional groups can be incorporated into the structures of pesticides or other agricultural chemicals to enhance their effectiveness in protecting crops and controlling pests.
Used in Research and Development:
2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene is also employed in research and development settings, where its reactivity and structural features are explored for potential applications in new chemical processes or the discovery of novel compounds with specific properties.

Check Digit Verification of cas no

The CAS Registry Mumber 115134-60-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,1,3 and 4 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 115134-60:
(8*1)+(7*1)+(6*5)+(5*1)+(4*3)+(3*4)+(2*6)+(1*0)=86
86 % 10 = 6
So 115134-60-6 is a valid CAS Registry Number.

115134-60-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromomethyl-5-chloro-2-isothiocyanatobenzene

1.2 Other means of identification

Product number -
Other names 2-Bromomethyl-4-chloro-1-isothiocyanato-benzene

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:115134-60-6 SDS

115134-60-6Relevant academic research and scientific papers

Heterocyclic compounds for treating myocardial ischemia

-

, (2008/06/13)

PCT No. PCT/FR96/01176 Sec. 371 Date Jan. 26, 1998 Sec. 102(e) Date Jan. 26, 1998 PCT Filed Jul. 25, 1996 PCT Pub. No. WO97/05134 PCT Pub. Date Feb. 13, 1997Substituted N-heterocyclyl-1-aryloxyalkyl-4-piperldineamines of formula (I) wherein each of R1 to R4, which are the same or different, is hydrogen, optionally branched C1-4 alkyl, optionally branched C1-4 alkyloxy, halo, nitro, hydroxy, or trifluoromethyl or trifluoromethoxyl; R5 is hydrogen, optionally branched C1-6 alkyl, optionally branched C7-12 phenylalkyl optionally substituted on the phenyl by one or more radicals having the same definition as R1; W and X are oxygen or sulphur; Y is C2-6 polymethylene or -CH2-CH(OH)-CH2-; and n is 0 or 1; and pure R or S isomers of said compounds, where applicable, as well as mixtures thereof, as well as therapeutically-acceptable organic or inorganic salts and hydrates of the compounds and a method for preparing the compounds and their use as drugs are all disclosed.

2-ISOTHIOCYANATOBENZYLTRIPHENYLPHOSPHONIUM BROMIDES - NEW TYPE OF FUNCTIONALIZED HETEROCUMULENES SUITABLE FOR SYNTHESIS OF INDOLE DERIVATIVES

Gonda, Jozef,Kristian, Pavol,Imrich, Jan

, p. 2508 - 2520 (2007/10/02)

Reaction of 2-bromomethylphenyl isothiocyanates with triphenylphosphine afforded triphenyl-(2-isothiocyanatobenzyl)phosphonium salts.Their reaction with bases liberated the corresponding carbanions which on intramolecular addition to the N=C=S group gave substituted 3-triphenylphosphoniumindolyl-2-thiolates.These compounds did not react in the Wittig reaction but underwent electrophilic reactions on the sulfur atom or the indol nitrogen atom.According to a detailed analysis of 1H, 13C, 31P NMR and mass spectra, the indole derivatives exist predominantly in the betaine form.X-Ray diffraction analysis of the unsubstituted betaine, 3-triphenylphosphoniumindolyl-2-thiolate, agrees well with the spectral results.

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