3-Bromothiophene-2-carboxaldehyde - ≥96% , CAS No.930-96-1

CAS: 930-96-1 Cat. No.: B123868 Peso molecular: 191.05 Beilstein Registry Number: 109757 Número EC: 672-838-0

GRADE & PURITY ≥96%

Synonyms

AM20120339 | EN300-97256 | Z1157754111 | 10X-0872 | DTXSID20383882 | AC-25791 | HY-W007753 | 2-THIOPHENECARBOXALDEHYDE, 3-BROMO- | SCHEMBL964511 | 3-bromo-2-thiophenecarboxaldehyde | 3-bromo-2-formylthophene | AKOS005069326 | W-204075 | 3-bromothiophen-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AM20120339 | EN300-97256 | Z1157754111 | 10X-0872 | DTXSID20383882 | AC-25791 | HY-W007753 | 2-THIOPHENECARBOXALDEHYDE, 3-BROMO- | SCHEMBL964511 | 3-bromo-2-thiophenecarboxaldehyde | 3-bromo-2-formylthophene | AKOS005069326 | W-204075 | 3-bromothiophen-2-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488194027
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194027
• Sonrisas canónicas: C1=CSC(=C1Br)C=O
• IUPAC Name: 3-bromothiophene-2-carbaldehyde
• InChIKey: BCZHCWCOQDRYGS-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
• Isómeros SMILES: C1=CSC(=C1Br)C=O
• WGK Alemania: 3
• Peso molecular: 191.05
• Beilstein: 109757
• Reaxy-Rn: 109757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109757&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Aryl bromides Vinylogous halides Thiophenes Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous halide - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.6377
• Punto de ebullición (°C): 115°C/20mmHg
• Peso molecular: 191.050 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.909 Da
• Monoisotopic Mass: 189.909 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.400
• 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