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

CAS: 188813-05-0 Cat. No.: B124167 Summenformel: C₇H₄BrClO Molekulargewicht: 219.46 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504768633
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768633
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=C(C=C(C=C1Cl)Br)C=O
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 68-73°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.