39115-95-2

Basic information

• Product Name: 4-IODOBENZHYDRAZIDE
• Synonyms: ASISCHEM D13390;4-IODOBENZHYDRAZIDE;4-IODOBENZENECARBOHYDRAZIDE;4-Iodobenzohydrazide
• CAS NO: 39115-95-2
• Molecular Formula: C₇H₇IN₂O
• Molecular Weight: 262.05
• Mol File: 39115-95-2.mol
• Article Data: 29

Chemical Properties

• Melting Point: 173 °C
• Boiling Point: 370.1 °C at 760 mmHg
• Flash Point: 177.6 °C
• Appearance: /
• Density: 1.884g/cm³
• Vapor Pressure: 3.94E-06mmHg at 25°C
• Refractive Index: 1.665
• Storage Temp.: 2-8°C(protect from light)
• PKA: 12.13±0.10(Predicted)
• CAS DataBase Reference: 4-IODOBENZHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-IODOBENZHYDRAZIDE(39115-95-2)
• EPA Substance Registry System: 4-IODOBENZHYDRAZIDE(39115-95-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 39115-95-2(Hazardous Substances Data)

Usage

General Description

4-Iodobenzhydrazide is a chemical compound with the molecular formula C7H8IN3. It belongs to the class of organic compounds known as benzohydrazides. It is a white to off-white crystalline powder with a melting point of 179-181°C. 4-Iodobenzhydrazide is used in the synthesis of pharmaceutical compounds, biochemical reagents, and agrochemicals. It also possesses anti-tumor and anti-bacterial properties and is commonly used in research and development as a building block for the production of various chemicals. Additionally, it is used as an intermediate in the synthesis of dyes and pigments, further expanding its utility in industrial applications.

InChI:InChI=1/C7H7IN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)

Upstream product

• 623907-52-8 C₁₂H₁₅IN₂O₃ 
• 619-58-9 4-iodobenzoic acid 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 619-44-3 methyl 4-iodobenzoate 

Downstream Products

• 93418-06-5 furfural-(4-iodo-benzoylhydrazone) 
• 99059-60-6 4-iodo-benzoic acid isopropylidenehydrazide 
• 156942-84-6 4-amino-5-(4-iodo-phenyl)-4H-[1,2,4]triazole-3-thiol 
• 1258947-31-7 4-iodo-N'-(3-methoxybenzoyl)benzohydrazide 
• 328924-14-7 4-iodo-N’-((5-nitrofuran-2-yl)methylene)benzohydrazide 
• 415691-10-0 N-(4-tert-butylbenzoyl)-N'-(4-iodobenzoyl)hydrazine 

Relevant articles and documents

Discovery of [1,2,4]triazole derivatives as new metallo-β-lactamase inhibitors

The emergence and spread of metallo-β-lactamase (MBL)-mediated resistance to β-lactam antibacterials has already threatened the global public health. A clinically useful MBL inhibitor that can reverse β-lactam resistance has not been established yet. We here report a series of [1,2,4]triazole derivatives and analogs, which displayed inhibition to the clinically relevant subclass B1 (Verona integron-encoded MBL-2) VIM-2. 3-(4-Bromophenyl)-6,7-dihydro-5H-[1,2,4]triazolo [3,4-b][1,3]thiazine (5l) manifested the most potent inhibition with an IC50 (half-maximal inhibitory concentration) value of 38.36 μM. Investigations of 5l against other B1 MBLs and the serine β-lactamases (SBLs) revealed the selectivity to VIM-2. Molecular docking analyses suggested that 5l bound to the VIM-2 active site via the triazole involving zinc coordination and made hydrophobic interactions with the residues Phe61 and Tyr67 on the flexible L1 loop. This work provided new triazole-based MBL inhibitors and may aid efforts to develop new types of inhibitors combating MBL-mediated resistance.

Synthesis and bioactivity of sulfide derivatives containing 1,3,4-oxadiazole and pyridine

A series of novel sulfide derivatives containing 1,3,4-oxadiazole and pyridine were synthesized, characterized, and tested for their antibacterial activity against tobacco bacterial wilt and rice bacterial blight and for insecticidal activity toward diamondback moth. The results showed that some compounds had good insecticidal and bactericidal activity, e.g., the activities of compounds 6e and 6g–6j toward tobacco bacterial wilt were much better than those of commercial thiodiazole-copper, and some of the synthesized compounds possessed good insecticidal activity against Plutella xylostella. Compounds 6d, 6h, 6j, 6l, 6p, 6r, and 6p displayed over 93% activity at 500 mg L? 1.

Design, synthesis, insecticidal activity and 3D-QSR study for novel trifluoromethyl pyridine derivatives containing an 1,3,4-oxadiazole moiety

A series of trifluoromethyl pyridine derivatives containing 1,3,4-oxadiazole moiety was designed, synthesized and bio-assayed for their insecticidal activity. The result of bio-assays indicated the synthesized compounds exhibited good insecticidal activity against Mythimna separata and Plutella xylostella, most of the title compounds show 100% insecticidal activity at 500 mg L-1 and >80% activity at 250 mg L-1 against the two pests. Compounds E18 and E27 showed LC50 values of 38.5 and 30.8 mg L-1 against Mythimna separata, respectively, which were close to that of avermectin (29.6 mg L-1); compounds E5, E6, E9, E10, E15, E25, E26, and E27 showed 100% activity at 250 mg L-1, which were better than chlorpyrifos (87%). CoMFA and CoMSIA models with good predictability were proposed, which revealed the electron-withdrawing groups with an appropriate bulk at 2- and 4-positions of benzene ring could enhance insecticidal activity.