Benzophenone - CP , CAS No.119-61-9

CAS: 119-61-9 Cat. No.: B103860 분자식: C₁₃H₁₀O 분자량: 182.22 Beilstein Registry Number: 1238185 EC 번호: 204-337-6

GRADE & PURITY CP

Synonyms

NSC-8077 | Benzene, benzoyl- | FT-0693251 | BENZOPHENONE (DIPHENYL-KETONE) | Benzophenone (Diphenylmethanone) | Benzophenone, Vetec(TM) reagent grade, 98% | DB01878 | AI3-00754 | EC 204-337-6 | NCGC00090787-06 | NCGC00259974-01 | NSC 8077 | EPA Pesticide

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

개요

Application：

Photo-crosslinkable bioglue development: A study demonstrated the creation of a surface-independent bioglue using a photo-crosslinkable benzophenone moiety, potentially enhancing medical adhesives for diverse applications.
Organic explosive trace analysis: Research highlighted the use of benzophenone for improved preconcentration and analysis of organic explosive traces in aqueous samples, advancing forensic methodologies.
OLEDs blue emitters: A publication introduced bicarbazole-benzophenone based twisted donor-acceptor derivatives as potential blue TADF emitters for OLED applications, showcasing the versatility of benzophenone in electronic devices.
Photodynamic antibacterial nonwovens: Research focused on the modification of traditional composite nonwovens with benzophenone to enable stable storage of light absorption transients and enhance photodynamic antibacterial effects, contributing to medical textile innovations.

Specifications

동의어

NSC-8077 | Benzene, benzoyl- | FT-0693251 | BENZOPHENONE (DIPHENYL-KETONE) | Benzophenone (Diphenylmethanone) | Benzophenone, Vetec(TM) reagent grade, 98% | DB01878 | AI3-00754 | EC 204-337-6 | NCGC00090787-06 | NCGC00259974-01 | NSC 8077 | EPA Pesticide

사양 및 순도

CP

보관 조건

Protected from light,Room temperature,Desiccated

배송

Normal

등급

CP

이름과 식별자

Pubchem Sid

508812303

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812303

정식 스마일

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

IUPAC Name

diphenylmethanone

InChIKey

RWCCWEUUXYIKHB-UHFFFAOYSA-N

INCHI

1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

이성체 SMILES

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

WGK 독일

2

RTECS

DI9950000

UN 번호

1224

포장 그룹

I

분자량

182.22

Beilstein

1238185

Reaxy-Rn

1238185

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238185&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: benzophenones

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)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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CTSB Tchem Cathepsin B (3822 Activities)

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CTSG Tchem Cathepsin G (2304 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CES2 Tchem Carboxylesterase 2 (583 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

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HepG2 (196354 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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CCF-STTG1 (114 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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관련 대상(비인간)

Papain (844 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: benzene, alcohol, ether, chloroform, acetone
• 감도: Light sensitive.
• 발화점(°F): 280°F
• 발화점(°C): 138 °C - closed cup
• 끓는점(°C): 305 °C (lit.)
• 녹는점(°C): 47-51 °C (lit.)
• 분자량: 182.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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