4-Bromo-2-clorotiazolo - ≥96% , CAS No.92977-45-2

CAS: 92977-45-2 Cat. No.: B188353 Formula: C₃HBrClNS Peso molecolare: 198.5 Numero EC: 804-704-6

GRADE & PURITY ≥96%

Synonyms

EN300-253352 | J-514633 | AKOS006330369 | SY032515 | DTXSID00470800 | Tiazolo, 4-bromo-2-cloro- | MFCD09746336 | Tiazolo, 4-bromo-2-cloro- | 4-bromo-2-clorotiazolo | (1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETICACIDO | AC-31236 | FT-0685933 | 4-bromo-2-c

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

EN300-253352 | J-514633 | AKOS006330369 | SY032515 | DTXSID00470800 | Tiazolo, 4-bromo-2-cloro- | MFCD09746336 | Tiazolo, 4-bromo-2-cloro- | 4-bromo-2-clorotiazolo | (1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETICACIDO | AC-31236 | FT-0685933 | 4-bromo-2-c

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

528760594

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760594

Sorrisi canonici

C1=C(N=C(S1)Cl)Br

IUPAC Name

4-bromo-2-chloro-1,3-thiazole

InChIKey

MVMBHCWTANPPTC-UHFFFAOYSA-N

INCHI

1S/C3HBrClNS/c4-2-1-7-3(5)6-2/h1H

Isomeri SMILES

C1=C(N=C(S1)Cl)Br

Peso molecolare

198.5

Reaxy-Rn

10334320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10334320&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: 2,4-disubstituted thiazoles
• Alternative Parents: Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

• Peso molecolare: 198.470 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.87 Da
• Monoisotopic Mass: 196.87 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.000
• 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