N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide
• CAS No.: 20069-30-1
• Molecular Formula: C8H8 F3 N3 S
• Molecular Weight: 235.233
• Hs Code.: 2930909090
• European Community (EC) Number: 671-256-4
• DSSTox Substance ID: DTXSID10353251
• Wikidata: Q82130724
• ChEMBL ID: CHEMBL3286598
• Mol file: 20069-30-1.mol

Synonyms:20069-30-1;4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide;N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide;1-amino-3-[3-(trifluoromethyl)phenyl]thiourea;3-amino-1-[3-(trifluoromethyl)phenyl]thiourea;n-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide;CHEMBL3286598;Hydrazinecarbothioamide, N-[3-(trifluoromethyl)phenyl]-;4-(3-(trifluoromethyl)phenyl)-3-thiosemicarbazide;N-[3-(trifluoromethyl)phenyl)hydrazinecarbothioamide;Maybridge1_000964;Hydrazinecarbothioamide,N-[3-(trifluoromethyl)phenyl]-;SCHEMBL2467470;HMS544D18;DTXSID10353251;BDBM50019766;MFCD00041291;STL181357;AKOS001045017;CCG-244038;AS-70034;CS-0207209;FT-0617349;EN300-08159;A814216;SR-01000037983;SR-01000037983-1;Z56870776;?4-[3-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE

Chemical Property of N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.00282mmHg at 25°C
• Melting Point: 120-122oC
• Boiling Point: 285.3°Cat760mmHg
• PKA: 10.13±0.70(Predicted)
• Flash Point: 126.4°C
• PSA: 82.17000
• Density: 1.471g/cm³
• LogP: 3.02970
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 235.03910293
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide

There total 3 articles about N-(3-(Trifluoromethyl)phenyl)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: 69.4%

1-isothiocyanato-3-trifluoromethyl-benzene (1840-19-3) → N-(3-(trifluoromethyl)phenyl)hydrazinecarbothioamide (20069-30-1)

Guidance literature:

With hydrazine hydrate; In methanol; at 5 - 20 ℃;

Reference yield:

3-trifluoromethylaniline (98-16-8) → N-(3-(trifluoromethyl)phenyl)hydrazinecarbothioamide (20069-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 5 - 20 °C

2: hydrazine hydrate / methanol / 5 - 20 °C

With hydrazine hydrate; In methanol; dichloromethane;

Reference yield:

→ N-(3-(trifluoromethyl)phenyl)hydrazinecarbothioamide (20069-30-1)

Guidance literature:

/BRN= 781205/, Hydrazin-hydrat;

upstream raw materials:

1-isothiocyanato-3-trifluoromethyl-benzene

3-trifluoromethylaniline

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