2,3-Dichloro-4-thiocyanatoaniline

Base Information

• Chemical Name: 2,3-Dichloro-4-thiocyanatoaniline
• CAS No.: 7494-03-3
• Molecular Formula: C7H4Cl2N2S
• Molecular Weight: 219.094
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30562101
• Wikidata: Q82446099
• Mol file: 7494-03-3.mol

Synonyms:2,3-Dichloro-4-thiocyanatoaniline;7494-03-3;4-amino-2,3-dichlorophenyl thiocyanate;(4-amino-2,3-dichlorophenyl) thiocyanate;[(4-AMINO-2,3-DICHLOROPHENYL)SULFANYL]FORMONITRILE;SCHEMBL6561078;DTXSID30562101;HHYXNAYEWINMOA-UHFFFAOYSA-N;MFCD11556361;AKOS000111684;SB77334;BS-22788;CS-0212579;AP-970/43483524

Chemical Property of 2,3-Dichloro-4-thiocyanatoaniline

Chemical Property:

• PSA: 75.11000
• LogP: 3.72998
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 217.9472247
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

98%Min ^*data from raw suppliers

2,3-Dichloro-4-thiocyanatoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)Cl)Cl)SC#N

Technology Process of 2,3-Dichloro-4-thiocyanatoaniline

There total 2 articles about 2,3-Dichloro-4-thiocyanatoaniline 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: 88.0%

sodium thiocyanide (540-72-7) + 2,3-dichloroaniline (608-27-5) → 4-amino-2,3-dichlorophenyl thiocyanate (7494-03-3)

Guidance literature:

With bromine; sodium bromide; In methanol; for 1h;

Reference yield:

→ 4-amino-2,3-dichlorophenyl thiocyanate (7494-03-3)

Guidance literature:

nach der Methode von Kaufmann, Oehring: B. 59 <1926> 187;

Reference yield: 48.0%

4-amino-2,3-dichlorophenyl thiocyanate (7494-03-3) + R-3,3,3-trifluoro-2-hydroxy-2-methylproanoyl chloride → (R)-N-[2,3-Dichloro-4-thiocyanatophenyl]-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide (329926-77-4)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; In dichloromethane; at 20 ℃;

upstream raw materials:

sodium thiocyanide

2,3-dichloroaniline

Downstream raw materials:

(R)-N-[2,3-Dichloro-4-thiocyanatophenyl]-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide

2,3-Dichlor-4-mercapto-anilin

(R)-N-[2,3-Dichloro-4-{4-(N,N-dimethylcarbamoyl)phenylsulphanyl}phenyl]-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide