4-Methoxybiphenyl - ≥99%(GC) , CAS No.613-37-6

CAS: 613-37-6 Cat. No.: M157893 분자식: C₁₃H₁₂O 분자량: 184.24 Beilstein Registry Number: 6(4)4600

GRADE & PURITY ≥99%(GC)

Synonyms

4-Phenylanisole | AKOS005067590 | Biphenyl, 4-methoxy | 1-methoxy-4-phenylbenzene | 4-Methoxybiphenyl, 97% | NSC3793 | NSC-3793 | Anisole,p-phenyl- | D84255 | AC-18693 | MFCD00014897 | AI3-00228 | Anisole, p-phenyl- | UNII-036WEA2OUD | STK735568 | SCHEMBL

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-Phenylanisole | AKOS005067590 | Biphenyl, 4-methoxy | 1-methoxy-4-phenylbenzene | 4-Methoxybiphenyl, 97% | NSC3793 | NSC-3793 | Anisole,p-phenyl- | D84255 | AC-18693 | MFCD00014897 | AI3-00228 | Anisole, p-phenyl- | UNII-036WEA2OUD | STK735568 | SCHEMBL

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

488181490

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181490

정식 스마일

COC1=CC=C(C=C1)C2=CC=CC=C2

IUPAC Name

1-methoxy-4-phenylbenzene

InChIKey

RHDYQUZYHZWTCI-UHFFFAOYSA-N

INCHI

1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

이성체 SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2

RTECS

BZ8850000

분자량

184.24

Beilstein

6(4)4600

Reaxy-Rn

2043157

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

관련 대상(인간)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water; Soluble in Ethanol,Ether
• 끓는점(°C): 157°C/9.8mmHg
• 녹는점(°C): 86-90°C
• 분자량: 184.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• 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: 153.000
• 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