3-Bromo-5-nitrobenzaldehyde - ≥97% , CAS No.355134-13-3

CAS: 355134-13-3 Cat. No.: B124168 Fórmula: C₇H₄BrNO₃ Peso molecular: 230.02 Número CE: 622-768-1

GRADE & PURITY ≥97%

Synonyms

MFCD00100097 | SY031013 | A822845 | AB03377 | B4982 | GS-4095 | J-512047 | AC-27325 | SCHEMBL362715 | AKOS015834614 | EN300-305394 | 3-bromanyl-5-nitro-benzaldehyde | 3-bromo-5-nitrobenzaldehyde | 3-bromo-5-nitro-benzaldehyde | 3-Bromo-5-nitrobenzaldehyde

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00100097 | SY031013 | A822845 | AB03377 | B4982 | GS-4095 | J-512047 | AC-27325 | SCHEMBL362715 | AKOS015834614 | EN300-305394 | 3-bromanyl-5-nitro-benzaldehyde | 3-bromo-5-nitrobenzaldehyde | 3-bromo-5-nitro-benzaldehyde | 3-Bromo-5-nitrobenzaldehyde

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504768515

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768515

Sorrisos canónicos

C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O

IUPAC Name

3-bromo-5-nitrobenzaldehyde

InChIKey

OUDCOMBHRXKPIJ-UHFFFAOYSA-N

INCHI

1S/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H

SMILES isoméricas

C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O

WGK Alemanha

3

Peso molecular

230.02

Reaxy-Rn

3253229

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3253229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitroaromatic compound - Benzaldehyde - Benzoyl - Bromobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Aldehyde - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 101-106°C
• Peso molecular: 230.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.937 Da
• Monoisotopic Mass: 228.937 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 192.000
• 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

Perguntas frequentes

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 355134-13-3, the molecular formula is C7H4BrNO3, and the molecular weight is 230.02 g/mol. InChIKey OUDCOMBHRXKPIJ-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.