N-(2,4-difluorophenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(2,4-difluorophenyl)hydrazinecarbothioamide
• CAS No.: 206559-58-2
• Molecular Formula: C7H7F2N3S
• Molecular Weight: 203.215
• Hs Code.: 2930909090
• European Community (EC) Number: 671-118-3
• DSSTox Substance ID: DTXSID40350293
• Wikidata: Q82126153
• Mol file: 206559-58-2.mol

Synonyms:206559-58-2;N-(2,4-difluorophenyl)hydrazinecarbothioamide;4-(2,4-Difluorophenyl)-3-thiosemicarbazide;1-amino-3-(2,4-difluorophenyl)thiourea;3-amino-1-(2,4-difluorophenyl)thiourea;Hydrazinecarbothioamide, N-(2,4-difluorophenyl)-;C7H7F2N3S;DTXSID40350293;BBL017039;MFCD00060563;STK439788;AKOS000116182;CCG-245856;JS-1962;CS-0304509;FT-0678556;EN300-03812;SR-01000308809;SR-01000308809-1;Z56887633;4-(2,4-difluorophenyl)-3-thiosemicarbazide, AldrichCPR

Chemical Property of N-(2,4-difluorophenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.00758mmHg at 25°C
• Melting Point: 172-174°C
• Boiling Point: 268.7°C at 760 mmHg
• Flash Point: 116.3°C
• PSA: 82.17000
• Density: 1.507g/cm³
• LogP: 2.28910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 203.03287473
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

4-(2,4-Difluorophenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)NC(=S)NN

Technology Process of N-(2,4-difluorophenyl)hydrazinecarbothioamide

There total 4 articles about N-(2,4-difluorophenyl)hydrazinecarbothioamide 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: 83.7%

2,4-difluorophenyl isothiocyanate (141106-52-7) → 4-(2,4-difluorophenyl)thiosemicarbazide (206559-58-2)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 6h;

Reference yield:

C9H6F2NO2S2(1-)*Na(1+) → 4-(2,4-difluorophenyl)thiosemicarbazide (206559-58-2)

Guidance literature:

C₉H₆F₂NO₂S₂^(1-)*Na⁽¹⁺⁾; With hydrogenchloride; In ethanol; water; pH=Ca. 1;

With hydrazine hydrate; sodium hydroxide; In ethanol; water; for 2h; Reflux;

DOI:10.1016/j.steroids.2017.05.001

Reference yield:

2,4-difluorophenylamine (367-25-9,76563-56-9) → 4-(2,4-difluorophenyl)thiosemicarbazide (206559-58-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / ethanol; water / 10 - 20 °C

2.1: hydrogenchloride / ethanol; water / pH Ca_. 1

2.2: 2 h / Reflux

With hydrogenchloride; potassium hydroxide; In ethanol; water;

DOI:10.1016/j.steroids.2017.05.001

upstream raw materials:

2,4-difluorophenyl isothiocyanate

2,4-difluorophenylamine

Downstream raw materials:

3-(3-chlorophenyl)-N-(2,4-difluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

3-(3-bromophenyl)-N-(2,4-difluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

C₃₈H₂₈F₄N₆S₂

N-(2,4-difluorophenyl)-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1-hydrazinecarbothioamide