N-(4-Bromophenyl)hydrazinecarbothioamide

Base Information

• Chemical Name: N-(4-Bromophenyl)hydrazinecarbothioamide
• CAS No.: 2646-31-3
• Molecular Formula: C7H8BrN3S
• Molecular Weight: 246.131
• Hs Code.: 2930909090
• European Community (EC) Number: 674-056-5
• DSSTox Substance ID: DTXSID10181056
• Nikkaji Number: J364.673D
• ChEMBL ID: CHEMBL3286600
• Mol file: 2646-31-3.mol

Synonyms:4-(4-bromophenyl)thiosemicarbazide

Chemical Property of N-(4-Bromophenyl)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Melting Point: 181-182°C (dec.)
• Refractive Index: 1.748
• Boiling Point: 335.9 °C at 760 mmHg
• PKA: 10.18±0.70(Predicted)
• Flash Point: 156.9 °C
• PSA: 82.17000
• Density: 1.726 g/cm³
• LogP: 2.77340
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.96223
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Bromophenyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)NN)Br

Technology Process of N-(4-Bromophenyl)hydrazinecarbothioamide

There total 9 articles about N-(4-Bromophenyl)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: 90.0%

4-Bromophenyl isothiocyanate (1985-12-2) → 4-(p-bromophenyl)thiosemicarbazide (2646-31-3)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2014.05.044

Reference yield: 68.0%

carbon disulfide (75-15-0,12122-00-8) + 4-bromo-aniline (106-40-1) → 4-(p-bromophenyl)thiosemicarbazide (2646-31-3)

Guidance literature:

carbon disulfide; 4-bromo-aniline; With sodium hydroxide; In N,N-dimethyl-formamide; at 20 - 25 ℃; for 1h;

With hydrazine hydrate; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 1h;

DOI:10.1016/j.ejmech.2011.10.038

Reference yield: 55.0%

K(1+)*C7H5BrNS2(1-) → 4-(p-bromophenyl)thiosemicarbazide (2646-31-3)

Guidance literature:

With hydrazine hydrate; In methanol; for 10h; Reflux;

DOI:10.1007/s11243-015-9997-z

upstream raw materials:

4-Bromophenyl isothiocyanate

hydrazine

carbon disulfide

4-bromo-aniline

Downstream raw materials:

1-(4-bromophenyl)-2-thiobiurea

4-(4-bromo-phenyl)-1-(4-chloro-phenylcarbamoyl)-thiosemicarbazide

hydrazine-N,N'-bis-carbothioic acid anilide-(4-bromo-anilide)

propionaldehyde-[4-(4-bromo-phenyl)-thiosemicarbazone]

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