4-Phenylphenol - analytical standard, for environmental analysis , CAS No.92-69-3

CAS: 92-69-3 Cat. No.: P100425 분자식: C₁₂H₁₀O 분자량: 170.21 Beilstein Registry Number: 1907452 EC 번호: 202-179-2

GRADE & PURITY Analytical standard, for Environmental analysis

Synonyms

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1,1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

Storage

Room temperature

Shipped In

Normal

개요

4-Phenylphenol (4-hydroxybiphenyl, 4-HBP), a biaryl compound, is a weakly acidic 4-arylphenol. A study on its crystalline structure has been reported. Its rapid, green synthesis via a Pd(0)-catalyzed Suzuki cross-coupling reaction in water has been reported. The standard molar enthalpy of formation of 4-phenylphenol has been evaluated using combustion calorimetry. The solid-matrix luminescence properties for 4-phenylphenol adsorbed on filter paper has been investigated.A study conducted using the yeast two-hybrid assay suggests that it shows estrogenic activity

Specifications

동의어

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1,1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

사양 및 순도

analytical standard, for environmental analysis

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질, 환경 분석을 위해

이름과 식별자

• Pubchem Sid: 528771472
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528771472
• 정식 스마일: C1=CC=C(C=C1)C2=CC=C(C=C2)O
• IUPAC Name: 4-phenylphenol
• InChIKey: YXVFYQXJAXKLAK-UHFFFAOYSA-N
• INCHI: 1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
• 이성체 SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O
• WGK 독일: 2
• RTECS: DV5850000
• UN 번호: 2430
• 분자량: 170.21
• Beilstein: 1907452
• Reaxy-Rn: 1907452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907452&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: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 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 biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: hydroxybiphenyls

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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

VEGFA Tclin Vascular endothelial growth factor A (159 Activities)

Discover Target: VEGFA

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

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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

HT-29 (80576 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

U-251 (51189 Activities)

Explore this target

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

U-87 MG (3946 Activities)

Explore this target

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

HEK293 (82097 Activities)

Explore this target

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

BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)

Discover Target: BCL2L1

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

UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

Discover Target: UGT2B7

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

UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

Discover Target: UGT2B17

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

UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

Discover Target: UGT2B4

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

UGT2B10 Tbio UDP-glucuronosyltransferase 2B10 (42 Activities)

Discover Target: UGT2B10

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

UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

Discover Target: UGT2B15

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

UGT2B28 Tbio UDP-glucuronosyltransferase 2B28 (9 Activities)

Discover Target: UGT2B28

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

UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

Discover Target: UGT1A1

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

UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

Discover Target: UGT1A6

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

UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

Discover Target: UGT1A7

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

UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

Discover Target: UGT1A8

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

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

Discover Target: UGT1A9

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

UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

Discover Target: UGT1A10

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

UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

Discover Target: UGT2A1

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

관련 대상(비인간)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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

Ttr Transthyretin (14 Activities)

Discover Target: Ttr

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

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Human papillomavirus (81 Activities)

Explore this target

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

ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (0.7 mg/ml at 20°C), ether, most common organic solvents, methanol, and chloroform.
• 발화점(°F): 165℃
• 발화점(°C): 165℃
• 끓는점(°C): 321°C
• 녹는점(°C): 164-166°C
• 분자량: 170.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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

참고 문헌

1. Li-Ying Bo, Zhi-Qin Pan, Tian-Ying Sun, Guo-Jun Du, Duo Zhang, Zhi-Qiang Song, Chun-Li Song, Ren Jian.  (2023)  Effect of Carrot Juice on the Texture Properties, Rheology, and Microstructure of Yoghurt.  JOURNAL OF FOOD QUALITY,      [PMID:] [10.1155/2023/9971055]

2. Yao Ma, Jinfan Chen, Xiaodong Du, Chunsheng Xie, Jiangmin Zhou, Xueqin Tao, Zhi Dang, Guining Lu.  (2022)  Efficient removal of polybrominated diphenyl ethers from soil washing effluent by dummy molecular imprinted adsorbents: Selectivity and mechanisms.  Journal of Environmental Sciences,      [PMID:36804241] [10.1016/j.jes.2022.08.026]

3. Yamin Xiong, Lihong Zhou, Xiaoxia Peng, Huiling Li, Hui Wang, Leiliang He, Peili Huang.  (2020)  A specific short peptide-assisted enhanced chemiluminescence resonance energy transfer (CRET) for label-free and ratiometric detection of copper ions in complex samples.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128411]

4. Jian Wang, Peiping Zhang, Congcong Wang, Xuda Zheng, Yuanjun Zhao, Lina Li, Shiding Miao.  (2019)  Band structure tunable synthesis of photocatalytic porous aromatic frameworks via Scholl reaction.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2019.108371]

5. Rongxiang Hu, Fenghua Zhang, Lan Luo, Linlin Wang, Yanju Liu, Jinsong Leng.  (2024)  An end-capping strategy for shape memory phthalonitrile resins via annealing enables conductivity and wave-absorption.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150956]

6. Geng Qian, Zhao Xin-Huai.  (2014)  Influences of exogenous probiotics and tea polyphenols on the production of three acids during the simulated colonic fermentation of maize resistant starch.  JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE,  52  (9): (5874-5881).  [PMID:26345003] [10.1007/s13197-014-1662-6]

7. Rongxiang Hu, Fenghua Zhang, Lan Luo, Linlin Wang, Yanju Liu, Jinsong Leng.  (2025)  Reconfigurable high-temperature thermal protection shape memory aerogel based on phthalonitrile resin with facile template method.  CARBON,      [PMID:] [10.1016/j.carbon.2025.120378]