3,5-Bis(trifluoromethyl)benzohydrazide

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzohydrazide
• CAS No.: 26107-82-4
• Molecular Formula: C9H6F6N2O
• Molecular Weight: 272.15
• Hs Code.: 29280090
• European Community (EC) Number: 247-462-1
• NSC Number: 278176
• UNII: J92JC3W3WN
• DSSTox Substance ID: DTXSID80180738
• Nikkaji Number: J267.235I
• Wikidata: Q83051338
• Mol file: 26107-82-4.mol

Synonyms:26107-82-4;3,5-Bis(trifluoromethyl)benzohydrazide;3,5-Bis(trifluoromethyl)benzhydrazide;3,5-Bis(trifluoromethyl)benzoic acid hydrazide;Benzoic acid, 3,5-bis(trifluoromethyl)-, hydrazide;3,5-di(Trifluoromethyl)benzhydrazide;J92JC3W3WN;3,5-Bis(trifluoromethyl)benzoylhydrazine;EINECS 247-462-1;NSC-278176;3,5-Bis(trifluoromethyl)benzoyl hydrazide;3,5-bis-trifluoromethylbenzoic acid hydrazide;NSC278176;3,5-Bis-(trifluoromethyl)-benzhydrazide;Maybridge1_001057;UNII-J92JC3W3WN;SCHEMBL3277286;HMS544I01;DTXSID80180738;C9-H6-F6-N2-O;BBL104284;CCG-54832;MFCD00051848;STK002521;AKOS005256036;3,5-Bistrifluoromethylbenzoic hydrazide;AC-7820;NSC 278176;3,5-Bis(trifluoromethyl)benzohydrazide #;AS-11602;FT-0614455;SR-01000643898-1

Chemical Property of 3,5-Bis(trifluoromethyl)benzohydrazide

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 131-135 °C
• Refractive Index: 1.442
• PKA: 11.21±0.10(Predicted)
• PSA: 55.12000
• Density: 1.479 g/cm³
• LogP: 3.41890
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 272.03843179
• Heavy Atom Count: 18
• Complexity: 291

Purity/Quality:

97% ^*data from raw suppliers

3,5-Bis-trifluoromethylbenzoic acid hydrazide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)NN

Technology Process of 3,5-Bis(trifluoromethyl)benzohydrazide

There total 5 articles about 3,5-Bis(trifluoromethyl)benzohydrazide 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: 81.6%

3’,5’-bis(trifluoromethyl)acetophenone (26107-80-2) → 3,5-bis-(trifluoromethyl)benzoic acid hydrazide (26107-82-4)

Guidance literature:

With hydrazine hydrate; In methanol; at 40 ℃; for 16h; Inert atmosphere;

DOI:10.1002/pola.23853

Reference yield:

3,5-bistrifluoromethylbenzoic acid (725-89-3) → 3,5-bis-(trifluoromethyl)benzoic acid hydrazide (26107-82-4)

Guidance literature:

3,5-bistrifluoromethylbenzoic acid; With 4-methyl-morpholine; isobutyl chloroformate; In tetrahydrofuran; at 20 ℃; for 1.5h;

With hydrazine; In tetrahydrofuran; for 5h;

DOI:10.1021/jm061006n

Reference yield:

3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8) → 3,5-bis-(trifluoromethyl)benzoic acid hydrazide (26107-82-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃;

DOI:10.1016/j.bmcl.2010.01.012

upstream raw materials:

3,5-bistrifluoromethylbenzoic acid

3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride

3’,5’-bis(trifluoromethyl)acetophenone

3,5-bis-trifluoromethylbenzoic acid ethyl ester

Downstream raw materials:

C₁₄H₁₂F₆N₂O₄

1-[3,5-bis(trifluoromethyl)benzoyl]-2-(4-methoxycarbonylbenzoyl)hydrazine