5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 1673-45-6
• Molecular Formula: C8H6 Cl N3 O
• Molecular Weight: 195.608
• Hs Code.: 2934999090
• European Community (EC) Number: 872-696-1
• DSSTox Substance ID: DTXSID60168271
• Nikkaji Number: J42.557E
• Wikidata: Q83037833
• ChEMBL ID: CHEMBL2426228
• Mol file: 1673-45-6.mol

Synonyms:5-(3-chlorophenyl)-1,3,4-oxadiazol-2-amine;1673-45-6;C8H6ClN3O;BRN 0518656;1,3,4-Oxadiazole, 2-amino-5-(m-chlorophenyl)-;CHEMBL2426228;2-Amino-5-(m-chlorophenyl)-1,3,4-oxadiazole;1,3,4-Oxadiazol-2-amine, 5-(3-chlorophenyl)-;SCHEMBL2336953;DTXSID60168271;AOD100088;BBL029450;BDBM50440125;MFCD01710628;STL221356;AKOS000156194;CCG-309984;AS-43471;LS-99070;BB 0238227;FT-0683581;EN300-155442;5-(3-chlorophenyl)-1,3,4-oxadiazol-2-ylamine;5-(3-chlorophenyl)-[1,3,4]oxadiazol-2-ylamine;A882248;AQ-911/41961441;5-(3-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylami ne;F2182-0004;Z285233794

Chemical Property of 5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine

Chemical Property:

• Vapor Pressure: 8.9E-06mmHg at 25°C
• Melting Point: 245-246 °C
• Boiling Point: 373.5°Cat760mmHg
• PKA: -1.45±0.26(Predicted)
• Flash Point: 179.7°C
• PSA: 64.94000
• Density: 1.415g/cm³
• LogP: 2.55340
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.0199395
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=NN=C(O2)N

Technology Process of 5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine

There total 8 articles about 5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine 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: 77.7%

2-[(3-fluorophenyl)methylene]hydrazinecarboxamide → 5-(3-chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine (1673-45-6)

Guidance literature:

With bromine; sodium acetate; acetic acid; for 0.00555556h; Microwave irradiation; Heating;

DOI:10.13005/ojc/280441

Reference yield: 76.0%

2-(3-chlorobenzoyl)hydrazinecarbothioamide (881-74-3) → 5-(3-chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine (1673-45-6)

Guidance literature:

With Oxone; iodine; sodium hydroxide; In water; isopropyl alcohol; at 0 - 20 ℃; for 0.5h;

DOI:10.3184/174751912X13551638283701

Reference yield:

semicarbazide hydrochloride (563-41-7) + m-Chlorobenzaldehyde (587-04-2) → 5-(3-chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine (1673-45-6)

Guidance literature:

With iodine; sodium acetate; potassium carbonate; In 1,4-dioxane; methanol; water; at 85 ℃; for 5h;

DOI:10.1080/14756366.2020.1864630

upstream raw materials:

2-(3-chlorobenzoyl)hydrazinecarbothioamide

methyl 3-chlorobenzoate

m-Chlorobenzaldehyde

m-Chlorobenzoyl chloride

Downstream raw materials:

C₁₈H₁₇ClN₆O₄

C₁₃H₉ClN₆O₃

C₁₃H₈ClN₅O₃

C₁₅H₁₂ClN₅O₃

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