2-Bromo-4-chlorothiazole - ≥98% , CAS No.139670-03-4

CAS: 139670-03-4 Cat. No.: B587146 Formula: C₃HBrClNS Peso molecolare: 198.46 Numero EC: 861-513-0

GRADE & PURITY ≥98%

Synonyms

EN300-253353 | FT-0707431 | 2-BROMO-4-CHLORO-1,3-THIAZOLE | AMY24049 | SCHEMBL2495191 | 2-Bromo-4-chlorothiazole | SY040533 | I11405 | WOUPIOIURYZNRU-UHFFFAOYSA-N | AKOS016013506 | BCP24367 | MB14083 | Thiazole, 2-bromo-4-chloro- | 2-?Bromo-?4-?chlorothia

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

EN300-253353 | FT-0707431 | 2-BROMO-4-CHLORO-1,3-THIAZOLE | AMY24049 | SCHEMBL2495191 | 2-Bromo-4-chlorothiazole | SY040533 | I11405 | WOUPIOIURYZNRU-UHFFFAOYSA-N | AKOS016013506 | BCP24367 | MB14083 | Thiazole, 2-bromo-4-chloro- | 2-?Bromo-?4-?chlorothia

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

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: 508808325
• Sorrisi canonici: C1=C(N=C(S1)Br)Cl
• IUPAC Name: 2-bromo-4-chloro-1,3-thiazole
• InChIKey: WOUPIOIURYZNRU-UHFFFAOYSA-N
• INCHI: 1S/C3HBrClNS/c4-3-6-2(5)1-7-3/h1H
• Isomeri SMILES: C1=C(N=C(S1)Br)Cl
• CAS alternativo: 139670-03-4
• Peso molecolare: 198.46
• Reaxy-Rn: 4858574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4858574&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