p-Bromo benzaldeide - ≥99% , CAS No.1122-91-4

CAS: 1122-91-4 Cat. No.: B109177 Formula: C₇H₅BrO Peso molecolare: 185.02 Beilstein Registry Number: 507100 Numero EC: 214-365-0

GRADE & PURITY ≥99%

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

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Shipped In

Ghiaccio umido

Panoramica

Applicazione

Impiegato nella mono- e bis-arilazione catalizzata da palladio di 3,4-(etilendiossi)tiofeni. Utilizzato anche in uno studio di cross-coupling con viniltrifluoroborato di potassio.

Specifications

Sinonimi

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 |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508813266

Sorrisi canonici

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

Isomeri SMILES

C1=CC(=CC=C1C=O)Br

WGK Germania

2

RTECS

CU4810000

Peso molecolare

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
    • 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 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
• Descrizione: 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

Obiettivi associati (umani)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Haemophilus influenzae (8812 Activities)

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Bacillus subtilis (32866 Activities)

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Bacillus cereus (7522 Activities)

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B16-F10 (4610 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol and benzene. Insoluble in water.
• Sensibilità: Light & Air sensitive.
• Punto di infiammabilità (°F): 228.2 °F
• Punto di infiammabilità (°C): 108℃
• Punto di ebollizione (°C): 125 °C/23 mmHg
• Punto di fusione (°C): 57.0-61.0 °C
• Peso molecolare: 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