2076-56-4

Basic information

• Product Name: 4-Bromobenzylisothiocyanate
• Synonyms: 4-Bromobenzylisothiocyanate;Nsc137468
• CAS NO: 2076-56-4
• Molecular Formula: C₈H₆BrNS
• Molecular Weight: 228.10894
• Mol File: 2076-56-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 308.5°Cat760mmHg
• Flash Point: 140.4°C
• Appearance: /
• Density: 1.6550 (rough estimate)
• Refractive Index: 1.6070 (estimate)
• Water Solubility: 14.83mg/L(25 oC)
• CAS DataBase Reference: 4-Bromobenzylisothiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromobenzylisothiocyanate(2076-56-4)
• EPA Substance Registry System: 4-Bromobenzylisothiocyanate(2076-56-4)

Safety Data

• Hazardous Substances Data: 2076-56-4(Hazardous Substances Data)

Usage

General Description

4-Bromobenzylisothiocyanate is a chemical compound with the molecular formula C8H6BrNS. It is an isothiocyanate derivative of 4-bromobenzyl alcohol and is commonly used in organic chemistry as a reagent for synthesizing various organic compounds. It is known for its strong and pungent odor and is often used in the production of pesticides and pharmaceuticals. It is also a key intermediate in the synthesis of biologically active compounds and is commonly used in the pharmaceutical industry for the production of drugs and medicines. Additionally, it is used in the research and development of new chemical compounds and is considered to be a versatile and valuable tool in the field of organic chemistry.

Upstream product

• 3959-07-7 4-Bromobenzylamine 
• 75-15-0 carbon disulfide 
• 102368-13-8 1,1'-Thiocarbonyldi-2(1H)-pyridone 
• 107047-10-9 p-bromobenzylazide 
• 603-35-0 triphenylphosphine 

Downstream Products

• 99983-43-4 1-(4-bromo-benzyl)-3-thiazol-2-yl-thiourea 
• 5784-36-1 1,3-bis-(4-bromo-benzyl)-1-(4,5-dihydro-thiazol-2-yl)-thiourea 
• 111252-70-1 (4-Bromo-benzyl)-thiocarbamic acid O-ethyl ester 
• 1417528-47-2 methyl 2-(((5-(hydroxymethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)(methyl)amino)acetate 
• 1417528-48-3 methyl 2-(((5-(azidomethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)(methyl)amino)acetate 
• 1417528-49-4 methyl 2-(((5-(aminomethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)(methyl)amino)acetate 
• 1417528-51-8 methyl 2-(methyl((5-((4-oxo-2-thioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)amino)acetate 
• 1417527-36-6 methyl 2-(((5-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)(methyl)amino)acetate 
• 1417528-66-5 3-(benzylthiomethyl)-4-((4’-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazole 
• 1417527-51-5 1-(5-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)-N,N,N-trimethylmethanaminium iodide 
• 1417528-08-5 1-((5-(chloromethyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-2-(4-fluorobenzylthio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one 
• 1417531-22-6 (E)-1-((5-((2,2-dimethylhydrazono)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-2-(4-fluorobenzylthio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one 
• 1417528-15-4 1-((5-acetyl-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-2-(4-fluorobenzylthio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-4(5H)-one 
• 1417528-16-5 N-((5-((2-(4-fluorobenzylthio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)methyl)-4-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)-2-hydroxy-N,N-dimethylethanaminium chloride 

Relevant articles and documents

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

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.

AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE

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.

ISOTHIOCYNATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME

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.