4,4'-디하이드록시디페닐 에테르 - ≥97%(GC) , CAS No.1965-09-9

CAS: 1965-09-9 Cat. No.: D119948 분자식: C₁₂H₁₀O₃ 분자량: 202.212 Beilstein Registry Number: 6(3)4408 EC 번호: 217-809-1

등급 & 순도 ≥97%(GC)

Synonyms

p-(p-하이드록시페녹시)페놀 | p-하이드록시페닐에테르 | p,p'-옥시비스페놀 | Q27268509 | 비스(4-하이드록시페닐)에테르 | BRN 1875320 | p,p'-옥시디페놀 | AS-17667 | 4,4'-디하이드록시디페닐옥사이드 | EINECS 217-809-1 | 비스(p-hydroxyphenyl) 에테르 | 4,4'-옥시디페놀|

Storage

Room temperature

Shipped In

보통

사양

동의어

p-(p-하이드록시페녹시)페놀 | p-하이드록시페닐에테르 | p,p'-옥시비스페놀 | Q27268509 | 비스(4-하이드록시페닐)에테르 | BRN 1875320 | p,p'-옥시디페놀 | AS-17667 | 4,4'-디하이드록시디페닐옥사이드 | EINECS 217-809-1 | 비스(p-hydroxyphenyl) 에테르 | 4,4'-옥시디페놀 |

사양 및 순도

≥97%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488182203

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182203

정식 스마일

C1=CC(=CC=C1O)OC2=CC=C(C=C2)O

IUPAC Name

4-(4-hydroxyphenoxy)phenol

InChIKey

NZGQHKSLKRFZFL-UHFFFAOYSA-N

INCHI

1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

이성체 SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)O

RTECS

SM6040000

분자량

202.212

Beilstein

6(3)4408

Reaxy-Rn

1875320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875320&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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)

FABP2 Tchem Fatty acid binding protein intestinal (28 Activities)

Discover Target: FABP2

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

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

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

관련 대상(비인간)

Melatonin receptor 1B (19 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 녹는점(°C): 168°C
• 분자량: 202.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 159.000
• 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 ≥97% purity, determined by gas chromatography (GC). 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 1965-09-9, the molecular formula is C12H10O3, and the molecular weight is 202.212 g/mol. InChIKey NZGQHKSLKRFZFL-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.