4-Bromo-2-chlorobenzaldehyde - ≥95% , CAS No.158435-41-7

CAS: 158435-41-7 Cat. No.: B132006 Summenformel: C₇H₄BrClO Molekulargewicht: 219.47 EG-Nummer: 681-460-5

GRADE & PURITY ≥95%

Synonyms

PS-7883 | SCHEMBL141039 | 4-bromo-2-chlorobenzaldehyde, AldrichCPR | FT-0649371 | DTXSID00555969 | A3491 | 2-Chloro-4-bromobenzaldehyde | 4-bromo-2-chloroebenzaldehyde | MFCD08741413 | BP-11514 | DHGPLNJITGVCSG-UHFFFAOYSA-N | A809930 | AM20060028 | Z10794

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

PS-7883 | SCHEMBL141039 | 4-bromo-2-chlorobenzaldehyde, AldrichCPR | FT-0649371 | DTXSID00555969 | A3491 | 2-Chloro-4-bromobenzaldehyde | 4-bromo-2-chloroebenzaldehyde | MFCD08741413 | BP-11514 | DHGPLNJITGVCSG-UHFFFAOYSA-N | A809930 | AM20060028 | Z10794

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488198594

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198594

Kanonisches Lächeln

C1=CC(=C(C=C1Br)Cl)C=O

IUPAC Name

4-bromo-2-chlorobenzaldehyde

InChIKey

DHGPLNJITGVCSG-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C(C=C1Br)Cl)C=O

Molekulargewicht

219.47

Reaxy-Rn

9550262

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9550262&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 Vinylogous halides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Chlorobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organobromide - Organochloride - 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): 75 °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