329314-68-3

Basic information

• Product Name: Benzonitrile, 2,4-difluoro-5-methyl- (9CI)
• Synonyms: Benzonitrile, 2,4-difluoro-5-methyl- (9CI);2,4-Difluoro-5-methylbenzonitrile 2,4-;Benzonitrile, 2,4-difluoro-5-methyl-
• CAS NO: 329314-68-3
• Molecular Formula: C₈H₅F₂N
• Molecular Weight: 153.1288064
• Product Categories: HALIDE
• Mol File: 329314-68-3.mol
• Article Data: 13

Chemical Properties

• Melting Point: 43-50℃
• Boiling Point: 212.817°C at 760 mmHg
• Flash Point: 82.509°C
• Appearance: Cream to yellow/Crystalline Solid
• Density: 1.217g/cm³
• Vapor Pressure: 0.17mmHg at 25°C
• Refractive Index: 1.487
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Benzonitrile, 2,4-difluoro-5-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 2,4-difluoro-5-methyl- (9CI)(329314-68-3)
• EPA Substance Registry System: Benzonitrile, 2,4-difluoro-5-methyl- (9CI)(329314-68-3)

Safety Data

• HazardClass: 6.1
• Hazardous Substances Data: 329314-68-3(Hazardous Substances Data)

Usage

General Description

Benzonitrile, 2,4-difluoro-5-methyl- (9CI) is a chemical compound with the molecular formula C8H5F2N. It is a colorless liquid with a faint odor and is primarily used as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. Benzonitrile, 2,4-difluoro-5-methyl- (9CI) is a member of the benzonitrile class of chemicals and has a molecular weight of 149.13 g/mol. It is known for its ability to participate in various chemical reactions, making it a versatile compound in organic synthesis. Additionally, it is considered to have low acute toxicity and is generally considered to be safe when handled and used according to proper safety protocols.

InChI:InChI=1/C8H5F2N/c1-5-2-6(4-11)8(10)3-7(5)9/h2-3H,1H3

Upstream product

• 557-21-1 zinc(II) cyanide 
• 333447-42-0 1,5-difluoro-2-iodo-4-methylbenzene 
• 452-76-6 2,4-difluorotoluene 
• 73963-98-1 zinc cyanide 
• 557-21-1 dicyanozinc 
• 544-92-3 copper(I) cyanide 
• 159277-47-1 1-bromo-2,4-difluoro-5-methylbenzene 

Downstream Products

• 633327-10-3 2,4-difluoro-5-formylbenzonitrile 

Relevant articles and documents

Discovery of potent 2,4-difluoro-linker poly(ADPribose) polymerase 1 inhibitors with enhanced water solubility and in vivo anticancer efficacy

Poly (ADP-ribose) polymerase 1 (PARP1) is overexpressed in a variety of cancers, especially in breast and ovarian cancers; tumor cells that are deficient in breast cancer gene 1/2 (BRCA1/2) are highly sensitive to PARP1 inhibition. In this study, we identified a series of 2,4-difluorophenyl-linker analogs (15-55) derived from olaparib as novel PARP1 inhibitors. Four potent analogs 17, 43, 47, and 50 (IC50=2.2-4.4 nmol/L) effectively inhibited the proliferation of Chinese hamster lung fibroblast V-C8 cells (IC50=3.2-37.6 nmol/L) in vitro, and showed specificity toward BRCA-deficient cells (SI=40-510). The corresponding hydrochloride salts 56 and 57 (based on 43 and 47) were highly water soluble in pH=1.0 buffered salt solutions (1628.2 μg/mL, 2652.5 μg/mL). In a BRCA1-mutated xenograft model, oral administration of compound 56 (30 m?kg-1d-1, for 21 d) exhibited more prominent tumor growth inhibition (96.6%) compared with the same dose of olaparib (56.3%); in a BRCA2-mutated xenograft model, oral administration of analog 43 (10 m?kg-1d-1, for 28 d) significantly inhibited tumor growth (69.0%) and had no negative effects on the body weights. Additionally, compound 56 exhibited good oral bioavailability (F=32.2%), similar to that of olaparib (F=45.4%). Furthermore, the free base 43 of the hydrochloride salt 56 exhibited minimal hERG inhibition activity (IC50=6.64 μmol/L). Collectively, these data demonstrate that compound 56 may be an excellent drug candidate for the treatment of cancer, particularly BRCA-deficient tumors.

Optimization of potency and pharmacokinetics of tricyclic indole derived inhibitors of HCV NS5B polymerase. Identification of ester prodrugs with improved oral pharmacokinetics

HCV infections are the leading causes for hepatocellular carcinoma and liver transplantation in the United States. Recent advances in drug discovery have identified direct acting antivirals which have significantly improved cure rates in patients. Current

TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF

The present invention relates to Tricyclic Indole Derivatives, compositions comprising at least one Tricyclic Indole Derivatives, and methods of using the Tricyclic Indole Derivatives for treating or preventing a viral infection or a virus-related disorder in a patient