Cas no 874-37-3 (2,1,3-Benzothiadiazol-5-amine)

2,1,3-Benzothiadiazol-5-amine structure
2,1,3-Benzothiadiazol-5-amine structure
Product Name:2,1,3-Benzothiadiazol-5-amine
CAS No:874-37-3
MF:C6H5N3S
MW:151.188998937607
MDL:MFCD00185826
CID:733596
PubChem ID:314313
Update Time:2024-10-26

2,1,3-Benzothiadiazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 2,1,3-Benzothiadiazol-5-amine
    • 5-AMINO-2,1,3-BENZOTHIADIAZOLE
    • Benzo[c][1,2,5]thiadiazol-5-amine
    • 2,1,3-benzothiadiazol-5-amine(SALTDATA: FREE)
    • 4-aminobenzo-2,1,3-thiadiazole
    • 5-amino-benzo[1,2,5]-thiadiazole
    • 5-amino-benzo-2,1,3-thiadiazole
    • benzo[1,2,5]thiadiazol-5-ylamine
    • benzo[c][l,2,5]thiadiazol-5-amine
    • benzo[c]1,2,5-thiadiazole-5-ylamine
    • (2,1,3-Benzothiadiazol-5-yl)amine
    • NSC 231627
    • 5-aminobenzo-2,1,3-thiadiazole
    • JRJPKRSKPOCUEV-UHFFFAOYSA-N
    • NSC231627
    • Oprea1_386475
    • 5-aminobenzo[2,1,3]thiadiazole
    • HMS1648L05
    • 2,1,3-benzothiadiazol-5-ylamine
    • 2??,1,3-benzothiadiazol-5-amine
    • 2,1,3-Benzothiadiazole, 5-amino- (6CI, 7CI, 8CI)
    • 2,1,3-Benzothiadiazol-2-SIV-5-amine
    • 2λ4δ2-2,1,3-Benzothiadiazol-5-amine
    • CHEMBL4213567
    • MFCD00185826
    • DTXCID60261897
    • SCHEMBL922408
    • DTXSID40310771
    • SR-01000597188-1
    • STK411110
    • AKOS000111654
    • SDCCGMLS-0065947.P001
    • PS-4268
    • NSC-231627
    • Benzo[c][1 pound not2 pound not5]thiadiazol-5-amine
    • AKOS006275004
    • J-506692
    • 874-37-3
    • EN300-101461
    • EU-0099984
    • SY032778
    • CS-W004127
    • SR-01000597188
    • BDBM50452026
    • BP-10454
    • ALBB-000348
    • Z1201619601
    • MDL： MFCD00185826
    • Inchi： 1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
    • InChI Key： JRJPKRSKPOCUEV-UHFFFAOYSA-N
    • SMILES： N1=C2C(C=C(C=C2)N)=NS1

Computed Properties

  • Exact Mass: 151.02000
  • Monoisotopic Mass: 151.02041835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.485±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 117 oC (water )
  • Boiling Point: 303℃ at 760 mmHg
  • Solubility: Slightly soluble (1.8 g/l) (25 o C),
  • PSA: 80.04000
  • LogP: 1.85470

2,1,3-Benzothiadiazol-5-amine Security Information

  • Hazard Statement： Harmful
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • HazardClass：IRRITANT

2,1,3-Benzothiadiazol-5-amine Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,1,3-Benzothiadiazol-5-amine Pricemore >>

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2,1,3-Benzothiadiazol-5-amine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride Catalysts: Sulfuric acid Solvents: Thionyl chloride
2.1 Reagents: Acetic anhydride Catalysts: Iron Solvents: Ethanol
3.1 Catalysts: Hydrochloric acid Solvents: Water
Reference
Fries rearrangement and Dakin reaction in the benzo-2,1,3-thiadiazole series
Belen'kaya, I. A.; et al, Khimiya Geterotsiklicheskikh Soedinenii, 1987, (12), 1683-7

Production Method 2

Reaction Conditions
1.1 Catalysts: Hydrochloric acid Solvents: Water
Reference
Fries rearrangement and Dakin reaction in the benzo-2,1,3-thiadiazole series
Belen'kaya, I. A.; et al, Khimiya Geterotsiklicheskikh Soedinenii, 1987, (12), 1683-7

Production Method 3

Reaction Conditions
1.1 Reagents: Zinc (with iron sulfate) ,  Ferrous sulfate heptahydrate ,  Ammonium chloride Solvents: Ethanol ,  Water ;  1 - 3 h, 50 °C
Reference
A practical and chemoselective reduction of nitroarenes to anilines using activated iron
Liu, Yugang; et al, Advanced Synthesis & Catalysis, 2005, 347, 217-219

2,1,3-Benzothiadiazol-5-amine Raw materials

2,1,3-Benzothiadiazol-5-amine Preparation Products

2,1,3-Benzothiadiazol-5-amine Related Literature

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