39115-96-3

Basic information

• Product Name: 3-BROMOBENZHYDRAZIDE
• Synonyms: (3-Bromobenzoyl)hydrazine;(m-Bromobenzoyl)hydrazine;3-Bromobenzohydrazide;Benzoic acid, 3-bromo-, hydrazide;Benzoic acid, m-bromo-, hydrazide;m-Bromobenzohydrazide;m-Bromobenzoic acid hydrazide;m-Bromobenzoic hydrazide
• CAS NO: 39115-96-3
• Molecular Formula: C₇H₇BrN₂O
• Molecular Weight: 215.05
• EINECS: 254-298-4
• Product Categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes;Bromine Compounds;Carbonyl Compounds;Hydrazides;Organic Building Blocks
• Mol File: 39115-96-3.mol
• Article Data: 59

Chemical Properties

• Melting Point: 155-156°C
• Boiling Point: 368.5 °C at 760 mmHg
• Flash Point: 176.7 °C
• Appearance: /
• Density: 1.615 g/cm³
• Vapor Pressure: 4.42E-06mmHg at 25°C
• Refractive Index: 1.615
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 11.86±0.10(Predicted)
• Water Solubility: Slightly soluble in water (3.7 g/L) (25°C)
• BRN: 1945814
• CAS DataBase Reference: 3-BROMOBENZHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMOBENZHYDRAZIDE(39115-96-3)
• EPA Substance Registry System: 3-BROMOBENZHYDRAZIDE(39115-96-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 39115-96-3(Hazardous Substances Data)

Usage

Uses

3-Bromobenzhydrazide is used to produce 5-(3-bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction will need reagent potassium hydroxide and solvent ethanol.

InChI:InChI=1/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)

Upstream product

• 24398-88-7 ethyl 3-bromobenzoate 
• 489455-69-8 tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate 
• 618-89-3 methyl 3-bromobenzoate 
• 1711-09-7 3-bromobenzoyl chloride 
• 585-76-2 m-bromobenzoic acid 

Downstream Products

• 3132-99-8 m-bromobenzoic aldehyde 
• 72755-05-6 3-bromobenzoyl azide 
• 84196-25-8 3-bromo-N'-(3-bromobenzoyl)benzohydrazide 
• 173406-71-8 N-acetyl-N'-(3-bromo-benzoyl)-hydrazine 
• 116324-95-9 3-bromo-benzoic acid salicylidenehydrazide 
• 14904-54-2 D-Arabino-hexosulose-2-(m-bromo-benzoyl)-hydrazon-1-phenylhydrazon 
• 88713-54-6 2,3,4,5-tetra-O-acetylgalactaric bis(m-bromobenzoylhydrazide) 
• 113307-80-5 (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-methanone 
• 116324-99-3 3-Bromo-benzoic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide 
• 203268-69-3 5-(3-Bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione 
• 162104-22-5 5-[N'-(3-Bromo-benzoyl)-hydrazino]-5-oxo-pentanoic acid 

Relevant articles and documents

Synthesis, characterization and antimicrobial screening of novel hydrazide ligand & It’s transition metal complexes

Different transition metal complexes were synthesized from novel 3-bromo-2-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]hydrazide ligand (H2L) and characterized by spectral techniques. The synthesized ligand was found to act mono as well as di deprotonated (OH, NH) manner and stoichiometry of the ligand to metal ions was confirmed to be 1:1 in case of complex using metal chloride salts, whereas 1:2 in case of metal(II) complexes using metal acetate(II) salt. Structures of metal complexes were confirmed by IR,1H NMR, TGA, XRD, elemental analysis and UV technique which revealed that Mn(II), Co(II), Ni(II), Cu(II) complexes were octahedral geometry and those of Cu(II), Zn(II) showed square planner and tetrahedral geometry around metal ion respectively. Furthermore H2L and its metal complexes were screened for antimicrobial activity which showed that ligand enhanced its biological activity after coordination with metal ions. In particular, Cd(II) and Mn(II) complexes exhibited excellent antifungal activity.

Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction

Defective in cullin neddylation 1(DCN1) is a co-E3 ligase that is important for cullin neddylation. Dysregulation of DCN1 highly correlates with the development of various cancers. Herein, from the initial high-throughput screening, a novel hit compound 5a containing a phenyltriazole thiol core (IC50 value of 0.95 μM for DCN1-UBC12 interaction) was discovered. Further structure-based optimization leads to the development of SK-464 (IC50 value of 26 nM). We found that SK-464 not only directly bound to DCN1 in vitro, but also engaged cellular DCN1, suppressed the neddylation of cullin3, and hindered the migration and invasion of two DCN1-overexpressed squamous carcinoma cell lines (KYSE70 and H2170). These findings indicate that SK-464 may be a novel lead compound targeting DCN1-UBC12 interaction.

Pleuromutilin derivative with 1, 3, 4-oxadiazole side chain and preparation and application thereof

The invention belongs to the field of medicinal chemistry, and particularly relates to a pleuromutilin derivative with a 1, 3, 4-oxadiazole side chain and preparation and application thereof The pleuromutilin derivative with the 1, 3, 4-oxadiazole side chain is a compound shown in a formula 2 or a pharmaceutically acceptable salt thereof, and a solvent compound, an enantiomer, a diastereoisomer and a tautomer of the compound shown in the formula 2 or the pharmaceutically acceptable salt thereof or a mixture of the solvent compound, the enantiomer, the diastereoisomer and the tautomer in any proportion, including a racemic mixture. The pleuromutilin derivative has good antibacterial activity, is especially suitable for being used as a novel antibacterial agent for systemic system infection of animals or human beings, and has good water solubility.