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

CAS: 139670-03-4 Cat. No.: B587146 Summenformel: C₃HBrClNS Molekulargewicht: 198.46 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508808325
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=C(N=C(S1)Br)Cl
• Alternative CAS-Nummer: 139670-03-4
• Molekulargewicht: 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
    • Klasse Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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