3-Chlorobenzene-1,2-diamine

Base Information

• Chemical Name: 3-Chlorobenzene-1,2-diamine
• CAS No.: 21745-41-5
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 2921590090
• European Community (EC) Number: 800-933-0
• DSSTox Substance ID: DTXSID90392704
• Nikkaji Number: J83.095J
• Wikidata: Q82191080
• Mol file: 21745-41-5.mol

Synonyms:3-chlorobenzene-1,2-diamine;21745-41-5;1,2-Diamino-3-chlorobenzene;3-CHLORO-1,2-BENZENEDIAMINE;1,2-Benzenediamine, 3-chloro-;3-Chloro-benzene-1,2-diamine;MFCD09881742;3-Chloro-1,2-diaminobenzene;diaminochlorobenzene;(2-AMINO-3-CHLOROPHENYL)AMINE;2-Amino-3-chloroaniline;2-amino-3-chlorophenylamine;SCHEMBL105595;DTXSID90392704;AMY28189;BBL018943;CL8377;STL196571;AKOS000111001;3-CHLORO-1,2-PHENYLENEDIAMINE;AB54530;CS-W005602;PS-5667;SY025403;BB 0246074;FT-0718654;EN300-45078;A878937;Z228582776

Chemical Property of 3-Chlorobenzene-1,2-diamine

Chemical Property:

• Boiling Point: 125 °C
• PKA: 3.10±0.10(Predicted)
• PSA: 52.04000
• Density: 1.345±0.06 g/cm3(Predicted)
• LogP: 2.66680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: SMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

3-Chlorobenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chlorobenzene-1,2-diamine

There total 9 articles about 3-Chlorobenzene-1,2-diamine 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: 100.0%

2-chloro-6-nitroaniline (769-11-9) → 2,3-diaminochlorobenzene (21745-41-5)

Guidance literature:

With ethanol; tin(ll) chloride; at 140 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1021/jm900414x

Reference yield: 100.0%

3-chloro-2-nitro-aniline (59483-54-4) → 2,3-diaminochlorobenzene (21745-41-5)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; at 20 ℃; for 3h;

DOI:10.1021/jm901672k

Reference yield: 30.0%

tetrabutylammonium (3-chlorophenyl)sulfamate → 2,3-diaminochlorobenzene (21745-41-5) + 4-Chloro-1,2-phenylenediamine (95-83-0)

Guidance literature:

tetrabutylammonium (3-chlorophenyl)sulfamate; With O-{3,5-bis(trifluoromethyl)benzoyl}hydroxylammonium trifluoromethanesulfonate; iron(II) bromide; at 30 ℃; for 4h;

With hydrogenchloride; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jacs.1c05531

upstream raw materials:

2,3-dinitrochlorobenzene

2-chloro-6-nitroaniline

1,2-Dichloro-3-nitrobenzene

nickel

Downstream raw materials:

4-chloro-1H-1,3-benzodiazole

4-chloro-1H-benzo[d][1,2,3]triazole

4-chloro-2-phenyl-1H-benzo[d]imidazole

5-chloroquinoxaline-2(1H)-one