1-(2,3-Dichlorophenyl)thiourea

Base Information

• Chemical Name: 1-(2,3-Dichlorophenyl)thiourea
• CAS No.: 41542-06-7
• Molecular Formula: C7H6Cl2N2S
• Molecular Weight: 221.11
• Hs Code.: 2930909090
• European Community (EC) Number: 674-274-0
• DSSTox Substance ID: DTXSID50374223
• Nikkaji Number: J308.222I
• Wikidata: Q82162738
• Mol file: 41542-06-7.mol

Synonyms:41542-06-7;1-(2,3-dichlorophenyl)thiourea;1-(2,3-Dichlorophenyl)-2-thiourea;(2,3-dichlorophenyl)thiourea;N-(2,3-Dichlorophenyl)thiourea;2,3-dichlorophenylthiourea;SCHEMBL650892;DTXSID50374223;AHQMVDBEJWQFIR-UHFFFAOYSA-N;BBL002710;MFCD00060428;STK802937;AKOS000477346;1-[2,3-bis(chloranyl)phenyl]thiourea;CS-0116711;FT-0682081;1-(2,3-dichlorophenyl)-2-thiourea, AldrichCPR;EN300-1262804;A825589

Chemical Property of 1-(2,3-Dichlorophenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000281mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.73
• Boiling Point: 322.3 °C at 760 mmHg
• Flash Point: 148.7 °C
• PSA: 70.14000
• Density: 1.563 g/cm³
• LogP: 3.42220
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.9628748
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

1-(2,3-Dichlorophenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,3-Dichlorophenyl)thiourea

There total 5 articles about 1-(2,3-Dichlorophenyl)thiourea 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: 98.0%

N-(2,3-dichlorophenyl)-N’-benzoylthiourea (83697-81-8) → 1-(2,3-dichlorophenyl)thiourea (41542-06-7)

Guidance literature:

N-(2,3-dichlorophenyl)-N’-benzoylthiourea; With sodium hydroxide; In water; at 90 ℃; for 0.25h;

With hydrogenchloride; In water; pH=5;

DOI:10.1021/acs.jmedchem.1c01132

Reference yield:

2,3-dichloroaniline (608-27-5) → 1-(2,3-dichlorophenyl)thiourea (41542-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform / Beim Verruehren einer waessrigen Suspension

2: alcohol; ammonia

With ethanol; chloroform; ammonia;

Reference yield:

ammonium thiocyanate + 2,3-dichloroaniline (608-27-5) → 1-(2,3-dichlorophenyl)thiourea (41542-06-7)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.bmcl.2008.03.037

upstream raw materials:

2,3-dichloro-1-isothiocyanatobenzene

N-(2,3-dichlorophenyl)-N’-benzoylthiourea

2,3-dichloroaniline

Downstream raw materials:

17β-[2-(2,3-dichloro-anilino)-thiazol-4-yl]-17α-hydroxy-androst-4-en-3-one

N-(2,3-Dichloro-phenyl)-morpholine-4-carboxamidine; hydriodide

C₂₀H₁₄Cl₂N₄OS₂

C₁₇H₁₄Cl₂N₂O₂S

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