Benzyl Phenyl Ether - ≥98%(GC) , CAS No.946-80-5

CAS: 946-80-5 Cat. No.: B153000 분자식: C₁₃H₁₂O 분자량: 184.24 EC 번호: 628-388-2

GRADE & PURITY ≥98%(GC)

Synonyms

phenylmethoxybenzene | A845040 | Benzyl phenyl ether, Pract. | 1-(Benzyloxy)benzene-4-D | Phenyl benzyl ether | AC-21019 | D94730 | Ether, benzyl phenyl | Filociclovir [USAN:INN] | Benzyl phenyl ether | Benzyloxybenzene | benzyloxy-benzene | Anisole, .alp

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Benzyl phenyl ether is a reactive organic oxygenate, containing ether as functional group, present in subbituminous and bituminous coals. It reacts with aluminium bromide in chlorobenzene solution to afford a mixture of phenol, o-benzyl phenol and dichlorodiphenylmethane. It is a useful as model compound in catalytic chemistry to represent the a-O4 ether bond in lignin and coal. It contains a weak ether bond of 234kJ/mol and belongs to the most thermo-labile compounds in lignin and low rank coal. Influence of alkali carbonates, common additives in biomass conversion, on the reaction pathways of BPE in superheated water has been reported

Specifications

동의어

phenylmethoxybenzene | A845040 | Benzyl phenyl ether, Pract. | 1-(Benzyloxy)benzene-4-D | Phenyl benzyl ether | AC-21019 | D94730 | Ether, benzyl phenyl | Filociclovir [USAN:INN] | Benzyl phenyl ether | Benzyloxybenzene | benzyloxy-benzene | Anisole, .alp

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504754523

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754523

정식 스마일

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

IUPAC Name

phenoxymethylbenzene

InChIKey

BOTNYLSAWDQNEX-UHFFFAOYSA-N

INCHI

1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2

이성체 SMILES

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

WGK 독일

3

분자량

184.24

Reaxy-Rn

2045713

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045713&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water.
• 감도: Moisture & heat sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 288 °C
• 녹는점(°C): 39 °C
• 분자량: 184.230 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 143.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 946-80-5, the molecular formula is C13H12O, and the molecular weight is 184.24 g/mol. InChIKey BOTNYLSAWDQNEX-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.