2-Amino-6-nitrobenzothiazole

Base Information

• Chemical Name: 2-Amino-6-nitrobenzothiazole
• CAS No.: 6285-57-0
• Molecular Formula: C7H5N3O2S
• Molecular Weight: 195.202
• Hs Code.: 29342080
• European Community (EC) Number: 228-513-7
• NSC Number: 62980,62341,10794
• UN Number: 2811
• UNII: 4321510DG9
• DSSTox Substance ID: DTXSID3024491
• Nikkaji Number: J37.325G
• Wikidata: Q27258594
• ChEMBL ID: CHEMBL318275
• Mol file: 6285-57-0.mol

Synonyms:2-AMINO-6-NITROBENZOTHIAZOLE;6285-57-0;6-nitrobenzo[d]thiazol-2-amine;2-Benzothiazolamine, 6-nitro-;6-Nitro-1,3-benzothiazol-2-amine;2-Amino-6-nitro benzothiazole;6-Nitrobenzothiazol-2-amine;6-Nitro-2-aminobenzothiazole;Benzothiazole, 2-amino-6-nitro-;6-Nitro-2-benzothiazolamine;NSC 62341;C7H5N3O2S;CCRIS 1391;6-Nitro-benzothiazol-2-ylamine;EINECS 228-513-7;NSC 10794;NSC 62980;BRN 0177844;CHEMBL318275;DTXSID3024491;UNII-4321510DG9;NSC-10794;NSC-62341;NSC-62980;NCGC00091632-02;4321510DG9;4-27-00-04876 (Beilstein Handbook Reference);MFCD00005786;Maybridge1_005516;2-amino-6-nitrobenzthiazole;NCIOpen2_000006;NCIOpen2_000201;DivK1c_001804;SCHEMBL334808;2-amino-6-nitro-benzothiazole;DTXCID304491;HMS557C16;BCP26738;NSC10794;NSC62341;NSC62980;Tox21_400044;6-NITRO-2-BENZOTHIAZOLEAMINE;BDBM50335098;STK353543;AKOS000111205;6-Nitro-1,3-benzothiazol-2-amine #;LS-1512;2-Amino-6-nitrobenzothiazole, >=97%;AMINO-6-NITROBENZOTHIAZOLE, 2-;CDS1_000764;NCGC00091632-01;NCGC00091632-03;AC-11336;AS-14458;CAS-6285-57-0;A1221;AM20040901;BB 0245866;FT-0611215;EN300-20235;A15715;F30827;W-104950;Q27258594;F0015-0759;Z104477436

Chemical Property of 2-Amino-6-nitrobenzothiazole

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 5.48E-07mmHg at 25°C
• Melting Point: 247-249 °C(lit.)
• Refractive Index: 1.797
• Boiling Point: 411.7 °C at 760 mmHg
• PKA: 1.76±0.10(Predicted)
• Flash Point: 202.8 °C
• PSA: 112.97000
• Density: 1.621 g/cm³
• LogP: 2.89110
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 195.01024758
• Heavy Atom Count: 13
• Complexity: 220
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

2-Amino-6-nitrobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N
• Uses: 2-Amino-6-nitrobenzothiazole has been used:as model analyte for voltammetric determination of electrochemically reducible organic substancesin the synthesis of 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid[2-(cyclohexanecarbonylamino)benzothiazol-6-yl]amide derivativesin the preparation of push-pull nonlinear optical chromophores containing thiazole and benzothiazole acceptorsas a base in dye production by diazotation reaction

Technology Process of 2-Amino-6-nitrobenzothiazole

There total 22 articles about 2-Amino-6-nitrobenzothiazole 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: 99.0%

potassium thioacyanate (333-20-0) + 4-nitro-aniline (100-01-6,104810-17-5) → 2-amino-6-nitrobenzothiazole (6285-57-0)

Guidance literature:

With sodium iodide dichloride; at 70 ℃; for 2h;

DOI:10.1055/s-0032-1317080

Reference yield: 97.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → 2-amino-6-nitrobenzothiazole (6285-57-0)

Guidance literature:

With sulfuric acid; nitric acid; 1 h, (-)10 deg C; 2 h, RT;;

DOI:10.1002/hlca.19800630318

Reference yield: 89.0%

ammonium thiocyanate + 4-nitro-aniline (100-01-6,104810-17-5) → 2-amino-6-nitrobenzothiazole (6285-57-0)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In water; dimethyl sulfoxide; at 70 ℃; for 1h;

DOI:10.1016/j.tetlet.2021.153388

upstream raw materials:

2-amino-benzthiazole

ethyl nitrate

2-chloro-6-nitrobenzothiazole

p-nitrophenylthiourea

Downstream raw materials:

N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

N-(6-nitrobenzo[d]thiazol-2-yl)benzamide

3-methyl-6-nitro-3H-benzothiazol-2-one-imine

benzothiazole-2,6-diamine

Refernces

Mesogenic benzothiazole derivatives with a polar nitro substituent

10.1080/15421400802697616

A. K. Prajapati and N. L. Bonde investigates the synthesis and mesomorphic properties of two new homologous series of mesogenic compounds containing a 6-nitrobenzothiazole moiety. The compounds were characterized using elemental analysis, FTIR, and NMR spectroscopy. The mesomorphic behavior was studied using polarized microscopy and differential scanning calorimetry. 2-Amino-6-nitrobenzothiazole serves as a precursor for the synthesis of the mesogenic compounds. It is prepared by diazotization of 4-methoxyaniline and coupling with phenol. The study concluding that the presence of the benzothiazole ring and the polar nitro substituent significantly influenced the mesomorphism, with the nitro group enhancing the thermal stability and favoring the formation of smectic phases over nematic phases.

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