3-Bromobenzaldehyde - ≥97% , CAS No.3132-99-8

CAS: 3132-99-8 Cat. No.: B108056 Fórmula: C₇H₅BrO Peso molecular: 185.02 Beilstein Registry Number: 1634534 Número EC: 221-526-9

GRADE & PURITY ≥97%

Synonyms

3-Bromobenzaldehyde | 3-Bromo-benzaldehyde | 3-formylbromobenzene | SB40508 | 3-bromo benzaldehyde | CAS-3132-99-8 | FT-0615191 | Benzaldehyde, 3-bromo- | Benzaldehyde, m-bromo- | NSC 66828 | AM81351 | Adrenalone (hydrochloride) | NSC66828 | NSC-66828 | B

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

application：

A substituted benzaldehyde used in the synthesis of more complex pharmaceutical compounds. It is also employed as an active pharmaceutical ingredient.

Specifications

Sinónimos

3-Bromobenzaldehyde | 3-Bromo-benzaldehyde | 3-formylbromobenzene | SB40508 | 3-bromo benzaldehyde | CAS-3132-99-8 | FT-0615191 | Benzaldehyde, 3-bromo- | Benzaldehyde, m-bromo- | NSC 66828 | AM81351 | Adrenalone (hydrochloride) | NSC66828 | NSC-66828 | B

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488185298

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185298

Sonrisas canónicas

C1=CC(=CC(=C1)Br)C=O

IUPAC Name

3-bromobenzaldehyde

InChIKey

SUISZCALMBHJQX-UHFFFAOYSA-N

INCHI

1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Isómeros SMILES

C1=CC(=CC(=C1)Br)C=O

WGK Alemania

3

RTECS

CU4820000

Peso molecular

185.02

Beilstein

1634534

Reaxy-Rn

1634534

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634534&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Objetivos asociados (no humanos)

B16-F10 (4610 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix in water.
• Sensibilidad: Light & Air & Moisture sensitive.
• Punto de congelación (°C): 18 °C
• Índice de refracción: 1.593
• Punto de inflamación (°F): 204.8 °F
• Punto de inflamación (°C): 96 °C
• Punto de ebullición (°C): 236°C
• Punto de fusión (°C): 19°C
• Peso molecular: 185.020 g/mol
• XLogP3: 2.400
• 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: 103.000
• 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

Preguntas frecuentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3132-99-8, the molecular formula is C7H5BrO, and the molecular weight is 185.02 g/mol. InChIKey SUISZCALMBHJQX-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.