Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-

Base Information

• Chemical Name: Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-
• CAS No.: 4300-92-9
• Molecular Formula: C11H15Cl2N3S
• Molecular Weight: 292.2279
• DSSTox Substance ID: DTXSID80195625

Synonyms:BRN 2736561;4300-92-9;1,1-Bis(2-chloroethyl)-4-phenyl-3-thiosemicarbazide;Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-;1,1-Bis(2-chloroethyl)-4-phenylthiosemicarbazide;1,1-Bis-(2-chloroethyl)-4-phenyl-thiosemicarbazid [German];1,1-Bis-(2-chloroethyl)-4-phenyl-thiosemicarbazid;DTXSID80195625;C11-H15-Cl2-N3-S;LS-144859

Chemical Property of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-

Chemical Property:

• Vapor Pressure: 3.56E-06mmHg at 25°C
• Boiling Point: 386.4°C at 760 mmHg
• Flash Point: 187.5°C
• Density: 1.335g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 291.0363741
• Heavy Atom Count: 17
• Complexity: 217

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio-

There total 3 articles about Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-3-thio- 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:

1,1-bis-(2-chloroethyl)-hydrazine (10487-06-6) + phenyl isothiocyanate (103-72-0) → 1-Phenylthiocarbamoyl-2,2-bis-<2-chlor-aethyl>-hydrazin (4300-92-9)

Guidance literature:

In diethyl ether;

Reference yield:

1,1-bis(β-chloroethyl)hydrazine hydrochloride (13495-35-7) + phenyl isothiocyanate (103-72-0) → 1-Phenylthiocarbamoyl-2,2-bis-<2-chlor-aethyl>-hydrazin (4300-92-9)

Guidance literature:

In diethyl ether;

Reference yield:

→ 1-Phenylthiocarbamoyl-2,2-bis-<2-chlor-aethyl>-hydrazin (4300-92-9)

Guidance literature:

C6H5-NCS, H2N-N2, Bzl.;

upstream raw materials:

1,1-bis-(2-chloroethyl)-hydrazine

phenyl isothiocyanate

1,1-bis(β-chloroethyl)hydrazine hydrochloride

Downstream raw materials:

4-(4-chloro-phenyl)-3-phenyl-3H-thiazol-2-one bis-(2-chloro-ethyl)-hydrazone

2-[bis-(2-chloro-ethyl)-hydrazono]-4-methyl-3-phenyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester

3-phenyl-4-p-tolyl-3H-thiazol-2-one bis-(2-chloro-ethyl)-hydrazone

3,4-diphenyl-3H-thiazol-2-one bis-(2-chloro-ethyl)-hydrazone

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