p-Bromo benzaldehyde - ≥98% , CAS No.1122-91-4

CAS: 1122-91-4 Cat. No.: B419287 Summenformel: C₇H₅BrO Molekulargewicht: 185.02 Beilstein Registry Number: 507100 EG-Nummer: 214-365-0

GRADE & PURITY ≥98%

Synonyms

4-formylbromobenzene | BENZALDEHYDE,4-BROMO | AB-131/40654019 | DTXSID5061534 | Q27259983 | EN300-18100 | 1-THIO-BETA-D-GLUCOSESODIUMSALT | FT-0617855 | InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5 | PS-8510 | STK199261 | BCP26999 | Para-bromobenzaldehyde |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Übersicht

Application

Employed in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. Also used in a cross-coupling study with potassium vinyltrifluoroborate.

Specifications

Synonyme

4-formylbromobenzene | BENZALDEHYDE,4-BROMO | AB-131/40654019 | DTXSID5061534 | Q27259983 | EN300-18100 | 1-THIO-BETA-D-GLUCOSESODIUMSALT | FT-0617855 | InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5 | PS-8510 | STK199261 | BCP26999 | Para-bromobenzaldehyde |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754566
• Kanonisches Lächeln: C1=CC(=CC=C1C=O)Br
• IUPAC Name: 4-bromobenzaldehyde
• InChIKey: ZRYZBQLXDKPBDU-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
• Isomere SMILES: C1=CC(=CC=C1C=O)Br
• WGK Deutschland: 2
• RTECS: CU4810000
• Molekulargewicht: 185.02
• Beilstein: 507100
• Reaxy-Rn: 507100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507100&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 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
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol and benzene. Insoluble in water.
• Empfindlichkeit: Light & Air sensitive
• Flammpunkt (°F): 228.2 °F
• Flammpunkt (°C): 108℃
• Siedepunkt (°C): 125 °C/23 mmHg
• Schmelzpunkt (°C): 57.0-61.0 °C
• Molekulargewicht: 185.020 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.952 Da
• Monoisotopic Mass: 183.952 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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