81171-71-3

Basic information

• Product Name: 4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96
• Synonyms: 4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96
• CAS NO: 81171-71-3
• Molecular Formula: C₇H₃BrFNS
• Molecular Weight: 232.076
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 81171-71-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 37-42 °C(lit.)
• Boiling Point: 278.6°C at 760 mmHg
• Flash Point: 230 °F
• Appearance: /
• Density: 1.59g/cm³
• Vapor Pressure: 0.00712mmHg at 25°C
• Refractive Index: 1.604
• CAS DataBase Reference: 4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96(81171-71-3)
• EPA Substance Registry System: 4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96(81171-71-3)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 81171-71-3(Hazardous Substances Data)

Usage

General Description

4-BROMO-2-FLUOROPHENYLISOTHIOCYANATE 96 is a chemical compound that contains a phenylisothiocyanate group, as well as bromine and fluorine substituents on the phenyl ring. It is typically used in organic synthesis and pharmaceutical research as a reagent for introducing the isothiocyanate functional group into organic molecules. The compound has a purity of 96% and is commonly used in the production of various pharmaceutical intermediates and agrochemicals. It is important to handle this compound with care and follow proper safety protocols due to its potential toxicity and reactivity.

InChI:InChI=1/C7H3BrFNS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

Upstream product

• 367-24-8 4-bromo-2-fluoroaniline 
• 1414781-42-2 C₇H₅BrFNS₂*C₆H₁₂N₂ 
• 75-15-0 carbon disulfide 
• 463-71-8 thiophosgene 

Downstream Products

• 1253107-70-8 C₁₃H₇BrClFN₂O 
• 1356679-50-9 N-(4-bromo-2-fluorophenyl)-4-(1,3-dioxan-2-yl)-2-fluorobenzothioamide 
• 1356679-58-7 methyl 1-(4-(6-(2-ethylthiazolidine-3-carbonyl)benzo[d]thiazol-2-yl)-3-fluorobenzyl)azetidine-3-carboxylate 
• 1365917-11-8 C₂₆H₂₈FN₃O₃S₂ 
• 1365917-18-5 C₂₅H₂₆FN₃O₃S₂ 
• 1365901-84-3 C₂₃H₂₃FN₂O₃S 
• 1365902-15-3 C₂₄H₂₅FN₂O₃S 
• 1356679-34-9 C₂₄H₂₄FN₃O₃S 
• 1365902-37-9 C₂₂H₂₁FN₂O₃S 
• 1365902-57-3 C₂₁H₁₉FN₂O₃S₂ 
• 1365902-81-3 C₂₂H₂₁FN₂O₃S₂ 
• 1356679-57-6 (2-(4-(1,3-dioxan-2-yl)-2-fluorophenyl)benzo[d]thiazol-6-yl)(2-ethylthiazolidin-3-yl)methanone 
• 1365902-88-0 C₂₄H₂₅FN₂O₃S₂ 
• 1365903-06-5 C₂₃H₂₃FN₂O₃S₂ 

Relevant articles and documents

Synthetic method of isothiocyanate liquid crystal monomers

The invention discloses a synthetic method of isothiocyanate liquid crystal monomers. The synthetic method comprises the following steps: taking a halogenated aniline as a raw material, firstly preparing an active intermediate of an isothiocyanate group, reacting with different coupling substrates, and then purifying to obtain a series of isothiocyanate liquid crystal monomers. The method comprises the steps of salifying, isothiocyanic acid esterification, coupling and purification to finally obtain the product. According to the method, the reaction paths and post-treatment are optimized, andhigh yield is achieved while the product purity is guaranteed.

NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS

The present invention disclosed a novel EGFR inhibitor compound of formula (I), process for preparation thereof and methods of treating abnormal cell growth in mammals by administering the compounds of formula (I). Wherein, R= -H, 3-CH3, 4-NO2, 4-Cl, 2-CH3, 4-CH3, 4-Br, 4-F R1= -H, -4-OCH3, -4-NO2,-2-NO2, -4-Cl, -2,4,6-CH3, -4-CH3, -2-F,4-Br, -4-CF3, -4-S-CH3, -4-Cl,-3-CF3, -3-S-CH3, -3,5-CF3, -2-S-CH3, -3-CF3,-4-OCF3, -Si-(CH3)3, -Si-(C2H5)3, (CH3)2-Si- C2H5.

Novel 5- and 6-subtituted benzothiazoles with improved physicochemical properties: Potent S1P1 agonists with in vivo lymphocyte-depleting activity

An SAR campaign designed to increase polarity in the 'tail' region of benzothiazole 1 resulted in two series of structurally novel 5-and 6-substituted S1P1 agonists. Structural optimization for potency ultimately delivered carboxamide (+)-11f,