6-Bromopiperonal - ≥98%(GC) , CAS No.15930-53-7

CAS: 15930-53-7 Cat. No.: B151898 Fórmula: C₈H₅BrO₃ Peso molecular: 229.03 Beilstein Registry Number: 19(5)4,232 Número EC: 672-421-3

GRADE & PURITY ≥98%(GC)

Synonyms

6-Bromo-1,3-benzodioxole-5-carbaldehyde # | KBioGR_002383 | 6-Bromo-3,4-methylenedioxybenzaldehyde | N-ethyl-2-methyl-allylamine/N-Ethylmethacrylamine | SpecPlus_000537 | 6-Bromo-benzo[1,3]dioxole-5-carbaldehyde | 6-bromobenzo[1,3]dioxole-5-carbaldehyde |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

6-Bromo-1,3-benzodioxole-5-carboxaldehyde can be synthesized by subjecting, 1,3-benzodioxole-5-carboxaldehyde to bromination.
6-Bromo-1,3-benzodioxole-5-carboxaldehyde may be used to synthesize, 2H-indazoles[1] and 2-allyl-N-[(6-bromobenzo[d][1,3]dioxol-5-yl)methyl]aniline

Specifications

Sinónimos

6-Bromo-1,3-benzodioxole-5-carbaldehyde # | KBioGR_002383 | 6-Bromo-3,4-methylenedioxybenzaldehyde | N-ethyl-2-methyl-allylamine/N-Ethylmethacrylamine | SpecPlus_000537 | 6-Bromo-benzo[1,3]dioxole-5-carbaldehyde | 6-bromobenzo[1,3]dioxole-5-carbaldehyde |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488186880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186880
• Sonrisas canónicas: C1OC2=C(O1)C=C(C(=C2)C=O)Br
• IUPAC Name: 6-bromo-1,3-benzodioxole-5-carbaldehyde
• InChIKey: CSQUXTSIDQURDV-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
• Isómeros SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)Br
• WGK Alemania: 3
• RTECS: TO1576250
• Peso molecular: 229.03
• Beilstein: 19(5)4,232
• Reaxy-Rn: 383965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aryl-aldehydes Benzenoids Aryl bromides Vinylogous halides Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aryl-aldehyde - Aryl bromide - Aryl halide - Benzenoid - Vinylogous halide - Acetal - Oxacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, methanol
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 130 °C
• Peso molecular: 229.030 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.942 Da
• Monoisotopic Mass: 227.942 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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

Referencias

1. Tao Chen, Peng Liu, Yu Ge, Xiaoting Lei, Zhenzong Fan, Xiaoyu Zhu, Yangping Wen, Hassan Karimi-Maleh, Xiaoqiang Wang.  (2025)  XGBoost algorithm-guided synthesis of violet phosphorus/MoAlB-MBene nanozyme for portable wireless intelligent sensing of sesamol in different varieties of sesame seeds.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.160080]

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 15930-53-7, the molecular formula is C8H5BrO3, and the molecular weight is 229.03 g/mol. InChIKey CSQUXTSIDQURDV-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.