4'-Hydroxyacetophenone Oxime - ≥98% , CAS No.34523-34-7

CAS: 34523-34-7 Cat. No.: H157119 분자식: C₈H₉NO₂ 분자량: 151.17 EC 번호: 641-576-9

등급 & 순도 ≥98%

Synonyms

4'-Hydroxyacetophenone Oxime | 4-Hydroxyacetophenone oxime | p-Hydroxyacetophenone Oxime | Ethanone, 1-(4-hydroxyphenyl)-, oxime | BVZSQTRWIYKUSF-UHFFFAOYSA-N | 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol | H1512 | 4-(N-hydroxy-C-methylcarbonimidoyl)phe

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Application：

4’-Hydroxyacetophenone Oxime is an impurity of Acetaminophen (A161220), an analgesic and antipyretic agent used as a pain reliever to treat headache, muscle aches, and arthritis (1,2,3).

사양

동의어

4'-Hydroxyacetophenone Oxime | 4-Hydroxyacetophenone oxime | p-Hydroxyacetophenone Oxime | Ethanone, 1-(4-hydroxyphenyl)-, oxime | BVZSQTRWIYKUSF-UHFFFAOYSA-N | 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol | H1512 | 4-(N-hydroxy-C-methylcarbonimidoyl)phe

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504756321

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756321

정식 스마일

CC(=NO)C1=CC=C(C=C1)O

IUPAC Name

4-(N-hydroxy-C-methylcarbonimidoyl)phenol

InChIKey

BVZSQTRWIYKUSF-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,10-11H,1H3

이성체 SMILES

CC(=NO)C1=CC=C(C=C1)O

분자량

151.17

Reaxy-Rn

2327316

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2327316&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Ketoximes Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ketoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

화학 및 물리적 특성

• 용해성: Ethyl Acetate (Slightly), Methanol (Slightly)
• 감도: Heat Sensitive
• 녹는점(°C): 142-144°C
• 분자량: 151.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 52.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34523-34-7, the molecular formula is C8H9NO2, and the molecular weight is 151.17 g/mol. InChIKey BVZSQTRWIYKUSF-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.