3,5-Dichlorothiobenzamide

Base Information

• Chemical Name: 3,5-Dichlorothiobenzamide
• CAS No.: 22179-74-4
• Molecular Formula: C7H5Cl2NS
• Molecular Weight: 206.095
• Hs Code.: 2930909899
• European Community (EC) Number: 674-697-0
• DSSTox Substance ID: DTXSID60366199
• Nikkaji Number: J83.153K
• Wikidata: Q82151322
• Mol file: 22179-74-4.mol

Synonyms:3,5-Dichlorothiobenzamide;22179-74-4;3,5-dichlorobenzenecarbothioamide;3,5-dichloro-thiobenzamide;3,5-Dichlorobenzothioamide;SCHEMBL3587300;DTXSID60366199;MFCD04973322;3,5-dichlorobenzene-1-carbothioamide;AKOS010005746;SB77832;3,5-bis(chloranyl)benzenecarbothioamide;AS-44302;CS-0309131;FT-0721485;EN300-1599583;A815998;J-014570

Chemical Property of 3,5-Dichlorothiobenzamide

Chemical Property:

• Vapor Pressure: 0.000179mmHg at 25°C
• Melting Point: 102-106℃
• Refractive Index: 1.669
• Boiling Point: 329.3 °C at 760 mmHg
• Flash Point: 152.9 °C
• PSA: 58.11000
• Density: 1.473 g/cm³
• LogP: 3.32790
• Sensitive.: Air Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.9519757
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98.5% ^*data from raw suppliers

3,5-Dichlorothiobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=S)N

Technology Process of 3,5-Dichlorothiobenzamide

There total 2 articles about 3,5-Dichlorothiobenzamide 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:

3,5-dichlorobenzonitrile (6575-00-4) → 3,5-dichlorothiobenzamide (22179-74-4)

Guidance literature:

With hydrogen sulfide; In pyridine; triethylamine; Ambient temperature;

Reference yield:

→ 3,5-dichlorothiobenzamide (22179-74-4)

Guidance literature:

entspr. Nitril, H2S, Triaethylamin, absol. Pyridin;

DOI:10.1039/j39690000861

Reference yield: 82.0%

3,5-dichlorothiobenzamide (22179-74-4) + (3-bromo-2-oxopropyl)((tert-butyldiphenylsilyl)imino)(phenyl)-λ6-sulfanone → C16H12Cl2N2OS2

Guidance literature:

In isopropyl alcohol; at 20 ℃; Inert atmosphere;

DOI:10.1039/c7ob00601b

upstream raw materials:

3,5-dichlorobenzonitrile

Downstream raw materials:

C₈H₇Cl₂NS*HI

C₈H₇Cl₂NS

C₁₁H₉Cl₂N₃O₃

C₁₁H₇Cl₂N₃O₂

Refernces

• 1、 -. "NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF". Page/Page column 121. . Retrieved 2011/10/03.