4,4'-Dihydroxydiphenylmethane - ≥99%(GC) , CAS No.620-92-8

CAS: 620-92-8 Cat. No.: D135041 분자식: C₁₃H₁₂O₂ 분자량: 200.24 Beilstein Registry Number: 6995 EC 번호: 210-658-2

GRADE & PURITY ≥99%(GC)

Synonyms

4,4'-Bis(hydroxyphenyl)methane | 4,4'-BIS-(HYDROXYPHENYL)METHANE | 4,4'-bisphenol F | 4,4-bisphenol F | bis(para-hydroxyphenyl)methane | BPF | Phenol, 4,4'-methylenedi- | 4,4'-Methylenebis[Phenol] | AE-562/40896944 | Bisphenol F 100 microg/mL in Acetonitr

Storage

Room temperature

Shipped In

Normal

개요

4,4'-Dihydroxydiphenylmethane, is also used as a bisphenol derivative with antioxidant activities. Bisphenol F has been reported to exhibit estrogen agonistic properties. Bisphenol F is used to make epoxy resins and coatings for various applications, such as lacquers, varnishes, liners, adhesives, plastics, water pipes, dental sealants, and food packaging.

Specifications

동의어

4,4'-Bis(hydroxyphenyl)methane | 4,4'-BIS-(HYDROXYPHENYL)METHANE | 4,4'-bisphenol F | 4,4-bisphenol F | bis(para-hydroxyphenyl)methane | BPF | Phenol, 4,4'-methylenedi- | 4,4'-Methylenebis[Phenol] | AE-562/40896944 | Bisphenol F 100 microg/mL in Acetonitr

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

488181550

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181550

정식 스마일

C1=CC(=CC=C1CC2=CC=C(C=C2)O)O

IUPAC Name

4-[(4-hydroxyphenyl)methyl]phenol

InChIKey

PXKLMJQFEQBVLD-UHFFFAOYSA-N

INCHI

1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2

이성체 SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)O)O

WGK 독일

2

RTECS

SL9625000

분자량

200.24

Beilstein

6995

Reaxy-Rn

2049425

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049425&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

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HeLa S3 (477 Activities)

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관련 대상(비인간)

Melatonin receptor 1B (19 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Phytophthora infestans (820 Activities)

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Rhizomucor miehei (120 Activities)

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Penicillium chrysogenum (1593 Activities)

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Candida albicans (78123 Activities)

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Paecilomyces variotii (130 Activities)

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COS-7 (515 Activities)

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Large T antigen (1457 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: It is soluble in ethanol, ether, chloroform, alkali; slightly soluble in DMSO, insoluble in carbon disulfide and water.
• 녹는점(°C): 159-163°C
• 분자량: 200.230 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• 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