3-Bromo-5-chlorobenzaldehyde - ≥97% , CAS No.188813-05-0

CAS: 188813-05-0 Cat. No.: B124167 Fórmula: C₇H₄BrClO Peso molecular: 219.46 Número CE: 633-770-7

GRADE & PURITY ≥97%

Synonyms

EN300-111686 | 5-Chloro-3-bromobenzaldehyde | Benzaldehyde, 3-bromo-5-chloro- | SY051388 | 5-bromo-3-chlorobenzaldehyde | 3-Bromo-5-chlorobenzaldehyde, 97% | AM83081 | 3-Bromo-5-chlorobenzaldehyde | 3-Bromo-5-Chloro-Benzaldehyde | GS-3679 | STL555435 | BB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-111686 | 5-Chloro-3-bromobenzaldehyde | Benzaldehyde, 3-bromo-5-chloro- | SY051388 | 5-bromo-3-chlorobenzaldehyde | 3-Bromo-5-chlorobenzaldehyde, 97% | AM83081 | 3-Bromo-5-chlorobenzaldehyde | 3-Bromo-5-Chloro-Benzaldehyde | GS-3679 | STL555435 | BB

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504768633

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768633

Sorrisos canónicos

C1=C(C=C(C=C1Cl)Br)C=O

IUPAC Name

3-bromo-5-chlorobenzaldehyde

InChIKey

JGMGDYUVFBBCEQ-UHFFFAOYSA-N

INCHI

1S/C7H4BrClO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

SMILES isoméricas

C1=C(C=C(C=C1Cl)Br)C=O

WGK Alemanha

3

Peso molecular

219.46

Reaxy-Rn

11154933

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11154933&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 68-73°C
• Peso molecular: 219.460 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.913 Da
• Monoisotopic Mass: 217.913 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 188813-05-0, the molecular formula is C7H4BrClO, and the molecular weight is 219.46 g/mol. InChIKey JGMGDYUVFBBCEQ-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.