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

CAS: 3132-99-8 Cat. No.: B108056 Formula: C₇H₅BrO Peso molecolare: 185.02 Beilstein Registry Number: 1634534 Numero 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

Panoramica

application：

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488185298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185298
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC(=CC(=C1)Br)C=O
• WGK Germania: 3
• RTECS: CU4820000
• Peso molecolare: 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
    • 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)

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

Obiettivi associati (non umani)

B16-F10 (4610 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Not miscible or difficult to mix in water.
• Sensibilità: Light & Air & Moisture sensitive.
• Punto di congelamento (°C): 18 °C
• Indice di rifrazione: 1.593
• Punto di infiammabilità (°F): 204.8 °F
• Punto di infiammabilità (°C): 96 °C
• Punto di ebollizione (°C): 236°C
• Punto di fusione (°C): 19°C
• Peso molecolare: 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

Domande frequenti

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.