4-benzyloxybromobenzène - ≥98% , CAS No.6793-92-6

CAS: 6793-92-6 Cat. No.: B123178 Formule: C₁₃H₁₁BrO Poids moléculaire: 263.13 Beilstein Registry Number: 1371040 Numéro CE: 614-179-3

GRADE & PURITY ≥98%

Synonyms

AKOS000201866 | EN300-185798 | C13H11BrO | AKOS016050392 | Benzene, 1-bromo-4-(phenylmethoxy)- | Di(4-amino-3-chlorophenyl)methane | 4-benzyloxy bromobenzene | AS-60183 | 4-(benzyloxy)-1-bromobenzene | Benzyl 4-bromo phenyl ether | 1-Benzyloxy-4-bromobzen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS000201866 | EN300-185798 | C13H11BrO | AKOS016050392 | Benzene, 1-bromo-4-(phenylmethoxy)- | Di(4-amino-3-chlorophenyl)methane | 4-benzyloxy bromobenzene | AS-60183 | 4-(benzyloxy)-1-bromobenzene | Benzyl 4-bromo phenyl ether | 1-Benzyloxy-4-bromobzen

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488188016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188016

Sourires canoniques

C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

IUPAC Name

1-bromo-4-phenylmethoxybenzene

InChIKey

OUQSGILAXUXMGI-UHFFFAOYSA-N

INCHI

1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

Isomères SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

WGK Allemagne

3

Poids moléculaire

263.13

Beilstein

1371040

Reaxy-Rn

1371040

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1371040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): 166-167°C/4mmHg
• Point de fusion (°C): 60.0-64.0°C
• Poids moléculaire: 263.130 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.999 Da
• Monoisotopic Mass: 261.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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

Foire aux questions

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 6793-92-6, the molecular formula is C13H11BrO, and the molecular weight is 263.13 g/mol. InChIKey OUQSGILAXUXMGI-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.