3-Bromo-5-fluorobenzaldehyde - ≥95% , CAS No.188813-02-7

CAS: 188813-02-7 Cat. No.: B140241 Fórmula: C₇H₄BrFO Peso molecular: 203.01 Beilstein Registry Number: 13904428 Número EC: 801-243-2

CALIDAD & PUREZA ≥95%

Synonyms

AC-2293 | 3-bromo-5-fluorobenzaldehyde | 3-bromo-5-fluoro-benzaldehyde | DS-1628 | 3-fluoro-5-bromobenzaldehyde | BBL104399 | A4172 | BB 0260031 | SCHEMBL613761 | Z1079442710 | J-012168 | STK503627 | MEFQRXHVMJPOKZ-UHFFFAOYSA-N | AM61813 | MFCD04116319 |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

AC-2293 | 3-bromo-5-fluorobenzaldehyde | 3-bromo-5-fluoro-benzaldehyde | DS-1628 | 3-fluoro-5-bromobenzaldehyde | BBL104399 | A4172 | BB 0260031 | SCHEMBL613761 | Z1079442710 | J-012168 | STK503627 | MEFQRXHVMJPOKZ-UHFFFAOYSA-N | AM61813 | MFCD04116319 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504769116

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769116

Sonrisas canónicas

C1=C(C=C(C=C1F)Br)C=O

IUPAC Name

3-bromo-5-fluorobenzaldehyde

InChIKey

MEFQRXHVMJPOKZ-UHFFFAOYSA-N

INCHI

1S/C7H4BrFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

Isómeros SMILES

C1=C(C=C(C=C1F)Br)C=O

Peso molecular

203.01

Beilstein

13904428

Reaxy-Rn

13904428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13904428&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 Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organofluoride - Organohalogen compound - Organobromide - 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 41-43°C
• Peso molecular: 203.010 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.943 Da
• Monoisotopic Mass: 201.943 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 188813-02-7, the molecular formula is C7H4BrFO, and the molecular weight is 203.01 g/mol. InChIKey MEFQRXHVMJPOKZ-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.