1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea

Base Information

• Chemical Name: 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea
• CAS No.: 77594-94-6
• Molecular Formula: C₁₀H₁₂ClN₃O₃S
• Molecular Weight: 289.743
• European Community (EC) Number: 278-730-6
• DSSTox Substance ID: DTXSID70998809
• Nikkaji Number: J309.415D
• Wikidata: Q82991575
• Mol file: 77594-94-6.mol

Synonyms:77594-94-6;1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea;EINECS 278-730-6;N-(2-chloro-5-nitrophenyl)-N'-(3-hydroxypropyl)thiourea;SCHEMBL11061757;DTXSID70998809;FCAWDKNIWLFMLN-UHFFFAOYSA-N;AKOS000964700;N-(2-Chloro-5-nitrophenyl)-N'-(3-hydroxypropyl)carbamimidothioic acid

Chemical Property of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea

Chemical Property:

• Vapor Pressure: 2.73E-08mmHg at 25°C
• Boiling Point: 433.7°C at 760 mmHg
• Flash Point: 216.1°C
• PSA: 129.24000
• Density: 1.497g/cm³
• LogP: 2.92450
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 289.0287901
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)NCCCO)Cl

Technology Process of 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)thiourea

There total 1 articles about 1-(2-Chloro-5-nitrophenyl)-3-(3-hydroxypropyl)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:

2-chloro-5-nitrophenyl isothiocyanate + propan-1-ol-3-amine (156-87-6) → N-(2-chloro-5-nitrophenyl)-N'-(3-hydroxypropyl)thiourea (77594-94-6)

Guidance literature:

In ethanol;

Reference yield:

N-(2-chloro-5-nitrophenyl)-N'-(3-hydroxypropyl)thiourea (77594-94-6) → 3-[(5-nitro-2-benzothiazolyl)amino]-1-propanol (77595-04-1)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide;

upstream raw materials:

propan-1-ol-3-amine

Downstream raw materials:

3-[(5-nitro-2-benzothiazolyl)amino]-1-propanol