3-Benzyloxybromobenzene - ≥98% , CAS No.53087-13-1

CAS: 53087-13-1 Cat. No.: B133897 Formula: C₁₃H₁₁BrO Peso molecolare: 263.13 Numero EC: 610-958-7

GRADE & PURITY ≥98%

Synonyms

AM62513 | HVWZMGZBJCJDOX-UHFFFAOYSA-N | 1-benzyloxy-3-bromo benzene | AKOS000202050 | 3-Bromophenyl phenylmethyl ether | 1-(benzyloxy)-3-bromobenzene | B2307 | 3-(benzyloxy)-1-bromobenzene | Benzyl 3-Bromophenyl Ether | FT-0640128 | 3-Benzyloxy-1-bromoben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AM62513 | HVWZMGZBJCJDOX-UHFFFAOYSA-N | 1-benzyloxy-3-bromo benzene | AKOS000202050 | 3-Bromophenyl phenylmethyl ether | 1-(benzyloxy)-3-bromobenzene | B2307 | 3-(benzyloxy)-1-bromobenzene | Benzyl 3-Bromophenyl Ether | FT-0640128 | 3-Benzyloxy-1-bromoben

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488193023

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193023

Sorrisi canonici

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

IUPAC Name

1-bromo-3-phenylmethoxybenzene

InChIKey

HVWZMGZBJCJDOX-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

263.13

Reaxy-Rn

1106697

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106697&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
• Descrizione: 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

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 62 °C
• Peso molecolare: 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: 177.000
• 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 ≥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 53087-13-1, the molecular formula is C13H11BrO, and the molecular weight is 263.13 g/mol. InChIKey HVWZMGZBJCJDOX-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.