3',4'-Dihydroxyacetophenone - ≥98%(GC) , CAS No.1197-09-7

CAS: 1197-09-7 Cat. No.: D138090 분자식: C₈H₈O₃ 분자량: 152.15 EC 번호: 670-471-0

등급 & 순도 ≥98%(GC)

Synonyms

4-Acetocatechol | BCP27931 | UNII-07OQ35LVBK | 4-ACETYL-1,2-BENZENEDIOL | Acetophenone-3',4'-dihydroxy | SCHEMBL144106 | 1-(3,4-Dihydroxyphenyl)ethanone, 9CI | EN300-174814 | FT-0693227 | TD1322 | AKOS002231977 | D2345 | Qingxintong | Acetopyrocatechol 4-

Storage

Room temperature,Argon charged

Shipped In

Normal

사양

동의어

4-Acetocatechol | BCP27931 | UNII-07OQ35LVBK | 4-ACETYL-1,2-BENZENEDIOL | Acetophenone-3',4'-dihydroxy | SCHEMBL144106 | 1-(3,4-Dihydroxyphenyl)ethanone, 9CI | EN300-174814 | FT-0693227 | TD1322 | AKOS002231977 | D2345 | Qingxintong | Acetopyrocatechol 4-

사양 및 순도

≥98%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

작업 유형

INHIBITOR

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504752570

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752570

정식 스마일

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

IUPAC Name

1-(3,4-dihydroxyphenyl)ethanone

InChIKey

UCQUAMAQHHEXGD-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3

이성체 SMILES

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

RTECS

KM5775200

분자량

152.15

Reaxy-Rn

1907969

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907969&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: catechols - dihydroxyacetophenone

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)

N9 (414 Activities)

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관련 대상(비인간)

RAW264.7 (28094 Activities)

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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 (partly miscible).
• 감도: Air Sensitive
• 녹는점(°C): 119 °C
• 분자량: 152.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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 ≥98% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1197-09-7, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey UCQUAMAQHHEXGD-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.