3,5-Dibromobenzaldehyde - ≥98% , CAS No.56990-02-4

CAS: 56990-02-4 Cat. No.: D122363 Fórmula: C₇H₄Br₂O Peso molecular: 263.91 Beilstein Registry Number: 2573432 Número EC: 611-441-9

GRADE & PURITY ≥98%

Synonyms

FT-0651963 | PS-7344 | Benzaldehyde, 3,5-dibromo- | SY014041 | FT-0614507 | D2832 | 3,5-bis(bromanyl)benzaldehyde | DTXSID80347485 | Z1269139271 | AM20040736 | J-511268 | (3,5-dibromo-phenyl)-methanone | SCHEMBL708554 | 3,5-Dibromobenzaldehyde | 3,5-Dibro

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactant involved in: Suzuki-Miyaura cross-coupling reactions. Synthesis of blue fluorescent dye derivatives for organic light emitting diodes. Sharpless kinetic resolution for the formation of Baylis-Hillman enal adducts. Synthesis of podophyllotoxin mimetic pyridopyrazoles as anticancer agents. Allylic alkylation. Synthesis of C2-symmetric biphosphine ligand I.

Specifications

Sinónimos

FT-0651963 | PS-7344 | Benzaldehyde, 3,5-dibromo- | SY014041 | FT-0614507 | D2832 | 3,5-bis(bromanyl)benzaldehyde | DTXSID80347485 | Z1269139271 | AM20040736 | J-511268 | (3,5-dibromo-phenyl)-methanone | SCHEMBL708554 | 3,5-Dibromobenzaldehyde | 3,5-Dibro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508808680
• Sonrisas canónicas: C1=C(C=C(C=C1Br)Br)C=O
• IUPAC Name: 3,5-dibromobenzaldehyde
• InChIKey: ZLDMZIXUGCGKMB-UHFFFAOYSA-N
• INCHI: 1S/C7H4Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• Isómeros SMILES: C1=C(C=C(C=C1Br)Br)C=O
• WGK Alemania: 3
• Peso molecular: 263.91
• Beilstein: 2573432
• Reaxy-Rn: 2573432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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
• Punto de fusión (°C): 89-93°C
• Peso molecular: 263.910 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.861 Da
• Monoisotopic Mass: 261.863 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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. Zang Yu, Gao Shan, Jing Boyu, Sun Hong, Wang Jianjun, Liu Jiao, Miao Fengjuan, Xu Liang.  (2022)  Synthesis of Pd/conjugated microporous polymer heterogeneous catalysts via imine groups and high catalytic efficiency on Suzuki–Miyaura coupling reaction.  JOURNAL OF MATERIALS SCIENCE,  58  (1): (170-185).  [PMID:] [10.1007/s10853-022-08032-8]

2. Weizhong Li, Jinyu Tang, Zhonggang Wang.  (2022)  Micro-/Mesoporous Fluorescent Polymers and Devices for Visual Pesticide Detection with Portability, High Sensitivity, and Ultrafast Response.  ACS Applied Materials & Interfaces,      [PMID:35044158] [10.1021/acsami.1c21658]

3. Yunsuo Kuang, Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Chao Yang, Zhaoxin Zhou, Yulun Nie.  (2018)  Novel AIEgens with a 3,5-dibromobenzaldehyde skeleton: molecular design, synthesis, tunable emission and detection application.  Analytical Methods,  10  (46): (5486-5492).  [PMID:] [10.1039/C8AY02070A]

4. Ding-Ming Xue, Yi-Jun Zhang, Jing-Wen Chen, Hao Yang, Rui-Jie Xie, Shi-Chao Qi, Yuan-Qing Bu, Fei Liu, Hou-Hu Zhang, Jacques Lalevée.  (2024)  Molecular engineering in thizolo[5,4-d]thiazole-based donor-acceptor covalent organic framework Induced high-efficient photosynthesis of H2O2.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.157874]