3-Fluorobenzhydrazide

Base Information

• Chemical Name: 3-Fluorobenzhydrazide
• CAS No.: 499-55-8
• Molecular Formula: C7H7FN2O
• Molecular Weight: 154.144
• Hs Code.: 2928000090
• European Community (EC) Number: 610-486-1
• NSC Number: 522533
• DSSTox Substance ID: DTXSID50325997
• Nikkaji Number: J2.261.249B
• Wikidata: Q72479164
• Mol file: 499-55-8.mol

Synonyms:3-Fluorobenzhydrazide;3-Fluorobenzohydrazide;499-55-8;3-Fluorobenzoic hydrazide;3-fluorobenzoic acid hydrazide;MFCD00060561;NSC522533;3-Fluorobenzohydrazide #;SCHEMBL405785;3-Fluoro-benzoic acid hydrazide;3-Fluorobenzoic hydrazide, 97%;DTXSID50325997;AMY24766;AC7945;BBL003554;STK020472;AKOS000140070;AD-0162;NSC-522533;SB85922;SY078945;A7424;BB 0240943;CS-0150061;FT-0615719;EN300-140896;F6782-3510

Chemical Property of 3-Fluorobenzhydrazide

Chemical Property:

• Appearance/Colour: WHITE TO OFF-WHITE POWDER, CRYSTALS,CRYSTALLINE POWDER, NEEDLES OR CHUNKS
• Melting Point: 138 °C
• Boiling Point: 312.6 °C at 760 mmHg
• PKA: 11.78±0.10(Predicted)
• Flash Point: 142.8 °C
• PSA: 55.12000
• Density: 1.272 g/cm³
• LogP: 1.52040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.05424101
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorobenzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)NN
• Uses: 3-FLUOROBENZHYDRAZIDE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Technology Process of 3-Fluorobenzhydrazide

There total 7 articles about 3-Fluorobenzhydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

N-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-fluorobenzamide → 2-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione (5690-46-0) + 3-fluoro-benzoic acid hydrazide (499-55-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

DOI:10.1002/chem.202102593

Reference yield: 84.0%

3-fluorobenzoic acid (455-38-9) → 3-fluoro-benzoic acid hydrazide (499-55-8)

Guidance literature:

3-fluorobenzoic acid; With sulfuric acid; In ethanol; for 6h; Reflux;

With hydrazine hydrate; sodium hydrogencarbonate; acetic acid; Reflux;

DOI:10.1016/j.ejmech.2017.06.036

Reference yield: 84.0%

ethyl 3-fluorobenzoate (451-02-5) → 3-fluoro-benzoic acid hydrazide (499-55-8)

Guidance literature:

With hydrazine hydrate monohydrate; In ethanol; water monomer; Reflux;

DOI:10.1016/j.bmc.2015.06.051

upstream raw materials:

ethyl 3-fluorobenzoate

methyl 3-fluorobenzoate

3-fluorobenzoic acid

o-fluoro-benzoic acid

Downstream raw materials:

3-Fluoro-benzoic acid [1-(2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide

2-(3-fluorophenyl)-5-phenyl-1,3,4-oxadiazole

3-fluorobenzoic acid

2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole

Refernces

• 1、 Liu, Jie,Zhang, Guang-Yu,Zhang, Zhe,Li, Bo,Chai, Fei,Wang, Qi,Zhou, Zi-Dan,Xu, Ling-Ling,Wang, Shou-Kai,Jin, Zhen,Tang, You-Zhi. "Design, synthesis, in vitro and in vivo evaluation against MRSA and molecular docking studies of novel pleuromutilin derivatives bearing 1, 3, 4-oxadiazole linker". . . Retrieved 2021/05/17.
• 2、 Bai, Hangyu,Jiang, Weiqi,Li, Qi,Li, Tian,Ma, Shichuang,Shi, Baojun,Wu, Wenjun. "Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles". . p. 11572 - 11581. Retrieved 2021/10/12.