2-Bromo-5-nitrothiazole - ≥98% , CAS No.3034-48-8

CAS: 3034-48-8 Cat. No.: B124453 Formula: C₃HBrN₂O₂S Peso molecolare: 209.03 Beilstein Registry Number: 4856 Numero EC: 221-226-8

GRADE & PURITY ≥98%

Synonyms

DTXSID4062804 | 4-27-00-00963 (Beilstein Handbook Reference) | 2-Bromo-5-nitro-1,3-thiazole | NSC91531 | NSC-91531 | 2-Bromo-5-nitrothiazole, 98% | BP-13020 | THIAZOLE, 2-BROMO-5-NITRO- | B4413 | EN300-122584 | 5-Nitro-2-bromothiazole | BRN 0004856 | J-50

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

Application：

2-Bromo-5-nitrothiazole is used as a building block. It is used as an intermediate to produce other chemicals

Specifications

Sinonimi

DTXSID4062804 | 4-27-00-00963 (Beilstein Handbook Reference) | 2-Bromo-5-nitro-1,3-thiazole | NSC91531 | NSC-91531 | 2-Bromo-5-nitrothiazole, 98% | BP-13020 | THIAZOLE, 2-BROMO-5-NITRO- | B4413 | EN300-122584 | 5-Nitro-2-bromothiazole | BRN 0004856 | J-50

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182451

Sorrisi canonici

C1=C(SC(=N1)Br)[N+](=O)[O-]

IUPAC Name

2-bromo-5-nitro-1,3-thiazole

InChIKey

ANIJFZVZXZQFDH-UHFFFAOYSA-N

INCHI

1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H

Isomeri SMILES

C1=C(SC(=N1)Br)[N+](=O)[O-]

WGK Germania

3

RTECS

XJ2986000

Peso molecolare

209.03

Beilstein

4856

Reaxy-Rn

4856

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4856&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrothiazoles
• Alternative Parents: Nitroaromatic compounds 2,5-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Sensibilità: Light sensitive
• Punto di fusione (°C): 85-90°C
• Peso molecolare: 209.020 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 207.894 Da
• Monoisotopic Mass: 207.894 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 127.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3034-48-8, the molecular formula is C3HBrN2O2S, and the molecular weight is 209.03 g/mol. InChIKey ANIJFZVZXZQFDH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.