リン酸フェニル - ≥98% , CAS No.701-64-4

CAS: 701-64-4 Cat. No.: P160442 分子式: C₆H₇O₄P 分子量: 174.09 Beilstein Registry Number: 6(4)708 EC番号: 211-857-7 PubChem CID: 12793

GRADE & PURITY ≥98%

Synonyms

Q27094221 | フェニルリン酸, AldrichCPR | リン酸, モノフェニルエステル | フェニルホスフェート | FT-0695226 | フェノールリン酸塩 | フェニルリン酸 | 75M88J863E | モノフェニルホスフェート | 1o4o | B0026 | リン酸モノプ

Storage

Argon charged,Room temperature

Shipped In

ノーマル

Specifications

同義語

Q27094221 | フェニルリン酸, AldrichCPR | リン酸, モノフェニルエステル | フェニルホスフェート | FT-0695226 | フェノールリン酸塩 | フェニルリン酸 | 75M88J863E | モノフェニルホスフェート | 1o4o | B0026 | リン酸モノプ

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 504752393
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752393
• カノニカル・スマイル: C1=CC=C(C=C1)OP(=O)(O)O
• IUPAC Name: phenyl dihydrogen phosphate
• InChIKey: CMPQUABWPXYYSH-UHFFFAOYSA-N
• INCHI: 1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
• 異性体SMILES: C1=CC=C(C=C1)OP(=O)(O)O
• RTECS: SZ9652500
• PubChem CID: 12793
• 分子量: 174.09
• Beilstein: 6(4)708
• Reaxy-Rn: 1910238

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• External Descriptors: aryl phosphate

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

関連ターゲット（人間）

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

関連ターゲット（非人間）

Grb2 Growth factor receptor-bound protein 2 (49 Activities)

Discover Target: Grb2

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Moisture sensitive
• 融点（°C）: 100 °C
• 分子量: 174.090 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.008 Da
• Monoisotopic Mass: 174.008 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

参考文献

1. Wentao He, Huahui Xu, Pingan Song, Yushu Xiang, Shuhao Qin.  (2022)  P, N-decorated halloysite nanotubes for flame retardancy enhancement of polyamide 6/aluminum diethylphosphinate.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2022.109847]

2. Ying-Ming Li, Hang-Ping Fang, Shuang-Lin Hu, Yao Deng, De-Yi Wang.  (2026)  Biomimetic soil-root-mineral system toward VER composites with enhanced mechanical property, good recyclability and excellent flame retardancy.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2026.111943]

よくある質問

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 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 701-64-4, the molecular formula is C6H7O4P, and the molecular weight is 174.09 g/mol. InChIKey CMPQUABWPXYYSH-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.