2-Amino-4-chlorobenzenethiol

Base Information

• Chemical Name: 2-Amino-4-chlorobenzenethiol
• CAS No.: 1004-00-8
• Molecular Formula: C6H6ClNS
• Molecular Weight: 159.639
• Hs Code.: 29309090
• European Community (EC) Number: 210-429-7,628-965-9
• DSSTox Substance ID: DTXSID00143244
• Nikkaji Number: J28.465C
• Wikidata: Q72434993
• Mol file: 1004-00-8.mol

Synonyms:2-amino-4-chlorobenzenethiol

Chemical Property of 2-Amino-4-chlorobenzenethiol

Chemical Property:

• Appearance/Colour: Light yellow crystals
• Vapor Pressure: 0.00361mmHg at 25°C
• Melting Point: 56-61 °C(lit.)
• Refractive Index: 1.672
• Boiling Point: 281.2 °C at 760 mmHg
• PKA: 7.35±0.11(Predicted)
• Flash Point: 123.9 °C
• PSA: 64.82000
• Density: 1.372 g/cm³
• LogP: 2.79210
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Stench
• Water Solubility.: Practically insoluble in water
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 158.9909481
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-chlorobenzenethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)S
• Uses: 2-Amino-4-chlorobenzenethiol may be used in the synthesis of:2,3-dihydro-1,5-benzothiazepin-4-(5H)-ones8-chloro-1-azaphenothiazine5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3,2-benzothiazaphosphole 2-sulfide

Technology Process of 2-Amino-4-chlorobenzenethiol

There total 14 articles about 2-Amino-4-chlorobenzenethiol 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: 92.0%

2-methyl-5-chloro-benzothiazole (1006-99-1) → 4-chloro-2-aminobenzenethiol (1004-00-8)

Guidance literature:

With sodium hydroxide; In ethylene glycol; for 2.5h; Heating;

DOI:10.1021/jm000542r

Reference yield:

bis(2-nitro-4-chlorophenyl)disulfide (2050-66-0) → 4-chloro-2-aminobenzenethiol (1004-00-8)

Guidance literature:

With acetic acid; zinc;

Reference yield:

2,5-dichloronitrobenzene (89-61-2) → 4-chloro-2-aminobenzenethiol (1004-00-8)

Guidance literature:

With water; sodium disulfide;

upstream raw materials:

bis(2-nitro-4-chlorophenyl)disulfide

2,5-dichloronitrobenzene

water

acetic acid

Downstream raw materials:

5-chloro-2-ethylbenzo[d]thiazole

5-chloro-2-(2-chlorophenyl)benzothiazole

2-benziltio-5-cloroanilina

5-chloro-2-(2-nitro-phenylsulfanyl)-aniline