trans-4-Bromostilbene - ≥98% , CAS No.13041-70-8

CAS: 13041-70-8 Cat. No.: B301954 Fórmula: C₁₄H₁₁Br Peso molecular: 259.15 Número EC: 681-119-0

GRADE & PURITY ≥98%

Synonyms

4-Bromostilbene | trans-4-Bromostilbene | MFCD00155020 | 1-Bromo-4-styrylbenzene | 1-bromo-4-styryl-benzene | 4-bromo stilbene | Benzene, 1-bromo-4-[(1E)-2-phenylethenyl]- | A827157 | 4-Bromostilbene, 95% | 1-bromo-4-(2-phenylethenyl)benzene | Benzene, 1-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Bromostilbene | trans-4-Bromostilbene | MFCD00155020 | 1-Bromo-4-styrylbenzene | 1-bromo-4-styryl-benzene | 4-bromo stilbene | Benzene, 1-bromo-4-[(1E)-2-phenylethenyl]- | A827157 | 4-Bromostilbene, 95% | 1-bromo-4-(2-phenylethenyl)benzene | Benzene, 1-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 87557820
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763788
• Sonrisas canónicas: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br
• IUPAC Name: 1-bromo-4-[(E)-2-phenylethenyl]benzene
• InChIKey: ZZMMKLVIBZWGPK-VOTSOKGWSA-N
• INCHI: 1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
• Isómeros SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)Br
• Peso molecular: 259.15
• Reaxy-Rn: 8132084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 138.0 - 142.0 °C
• Peso molecular: 259.140 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 258.004 Da
• Monoisotopic Mass: 258.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 13041-70-8, the molecular formula is C14H11Br, and the molecular weight is 259.15 g/mol. InChIKey ZZMMKLVIBZWGPK-VOTSOKGWSA-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.