88112-75-8

Basic information

• Product Name: 4-BROMO-2-FLUOROPHENYL ISOCYANATE
• Synonyms: TIMTEC-BB SBB006640;4-BROMO-2-FLUOROPHENYL ISOCYANATE;Benzene, 4-bromo-2-fluoro-1-isocyanato- (9CI);4-Bromo-2-fluorophenyl isocyanate,97%;Benzene, 4-broMo-2-fluoro-1-isocyanato-;4-Bromo-2-fluorophenyl isocyanate 97%
• CAS NO: 88112-75-8
• Molecular Formula: C₇H₃BrFNO
• Molecular Weight: 216.01
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 88112-75-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 56 °C0.1 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.664 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0598mmHg at 25°C
• Refractive Index: n20/D 1.567(lit.)
• CAS DataBase Reference: 4-BROMO-2-FLUOROPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2-FLUOROPHENYL ISOCYANATE(88112-75-8)
• EPA Substance Registry System: 4-BROMO-2-FLUOROPHENYL ISOCYANATE(88112-75-8)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 88112-75-8(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to pale yellow liquid or solid

General Description

4-Bromo-2-fluorophenyl isocyanate is a halogenated isocyanate.

InChI:InChI=1/C7H3BrFNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

Upstream product

• 75-44-5 phosgene 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 367-24-8 4-bromo-2-fluoroaniline 
• 503-38-8 trichloromethyl chloroformate 

Downstream Products

• 1431662-63-3 C₂₁H₁₅BrCl₂FN₃O₄S 
• 1609464-71-2 C₂₂H₂₆BrFN₄O₄ 
• 160132-29-6 1-(4-bromo-2-fluorophenyl)imidazolidin-2-one 

Relevant articles and documents

NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS

This invention relates to novel compounds which are inhibitors of the Rearranged during Transfection (RET) kinase, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination, for the normalization of gastrointestinal sensitivity, motility and/or secretion and/or abdominal disorders or diseases and/or treatment related to diseases related to RET dysfunction or where modulation of RET activity may have therapeutic benefit including but not limited to all classifications of irritable bowel syndrome (IBS) including diarrhea-predominant, constipation-predominant or alternating stool pattern, functional bloating, functional constipation, functional diarrhea, unspecified functional bowel disorder, functional abdominal pain syndrome, chronic idiopathic constipation, functional esophageal disorders, functional gastroduodenal disorders, functional anorectal pain, inflammatory bowel disease, proliferative diseases such as non-small cell lung cancer, hepatocellular carcinoma, colorectal cancer, medullary thyroid cancer, follicular thyroid cancer, anaplastic thyroid cancer, papillary thyroid cancer, brain tumors, peritoneal cavity cancer, solid tumors, other lung cancer, head and neck cancer, gliomas, neuroblastomas, Von Hippel-Lindau Syndrome and kidney tumors, breast cancer, fallopian tube cancer, ovarian cancer, transitional cell cancer, prostate cancer, cancer of the esophagus and gastroesophageal junction, biliary cancer, adenocarcinoma, and any malignancy with increased RET kinase activity.

N-substituted 2-isonicotinoylhydrazinecarboxamides-new antimycobacterial active molecules

This report presents a new modification of the isoniazid (INH) structure linked with different anilines via a carbonyl group obtained by two synthetic procedures and with N-substituted 5-(pyridine-4-yl)-1,3,4-oxadiazole-2-amines prepared by their cyclisation. All synthesised derivatives were characterised by IR, NMR, MS and elemental analyses and were evaluated in vitro for their antimycobacterial activity against Mycobacterium tuberculosis H37Rv, Mycobacterium avium 330/88, Mycobacterium kansasii 235/80 and one clinical isolated strain of M. kansasii 6509/96. 2-Isonicotinoyl-N-(4- octylphenyl)hydrazinecarboxamide displayed an in vitro efficacy comparable to that of INH for M. tuberculosis with minimum inhibitory concentrations (MICs) of 1-2 μM. Among the halogenated derivatives, the best anti-tuberculosis activity was found for 2-isonicotinoyl-N-(2,4,6-trichlorophenyl) hydrazinecarboxamide (MIC = 4 μM). In silico modelling on the enoyl-acyl carrier protein reductase InhA confirmed that longer alkyl substituents are advantageous for the interactions and affinity to InhA. Most of the hydrazinecarboxamides, especially those derived from 4-alkylanilines, exhibited significant activity against INH-resistant nontuberculous mycobacteria. gfjh+l;kfldf.

Synthesis and structure-activity relationship of 4-substituted benzoic acids and their inhibitory effect on the biosynthesis of fatty acids and sterols

The synthesis of 4-[3-(substituted phenyl)-2-oxo-5-oxazolidinyl] methoxybenzoic acids and their inhibitory effects on the biosynthesis of fatty acids and sterols is described. IC50 values in vitro were 10 -6 and 10-5 M, respectively. Though the in vitro inhibitory activity of all these compounds toward sterol biosynthesis was inferior to that of pravastatin, several compounds had a stronger reducing effect in Sprague-Dawley (SD) rat on both, cholesterol (TC) and triglyceride (TG), than pravastatin and bezafibrate. The potent compounds were present at high concentrations in rat liver. The enantiomers of the potent racemic compounds (4-[3-(4-bromo-2-fluorophenyl)-2-oxo-5-oxazolidinyl]methoxybenzoic acid) were prepared and their activity was examined in vivo and in vitro. In vivo, each enantiomer possessed more activity than the racemic compound. Further, in Watanabe hereditable hyperlipidemic (WHHL) rabbit, optically active (R)-4-[3-(4-bromo-2-fluorophenyl)-2-oxo-5-oxazolidinyl]methoxybenzoic acid also potently reduced the effect of both TC and TG on serum levels, compared with pravastatin and bezafibrate.