Phenyl Phosphate - ≥98% , CAS No.701-64-4

CAS: 701-64-4 Cat. No.: P160442 분자식: C₆H₇O₄P 분자량: 174.09 Beilstein Registry Number: 6(4)708 EC 번호: 211-857-7 PubChem CID: 12793

GRADE & PURITY ≥98%

Synonyms

Q27094221 | phenylphosphoric acid, AldrichCPR | Phosphoric acid, monophenyl ester | Phenylphosphate | FT-0695226 | Phenolic phosphate | Phenylphosphoric acid | 75M88J863E | MONOPHENYL PHOSPHATE | PHENYLPHOSPHORICACID | 1o4o | B0026 | Phosphoric acid monop

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

Q27094221 | phenylphosphoric acid, AldrichCPR | Phosphoric acid, monophenyl ester | Phenylphosphate | FT-0695226 | Phenolic phosphate | Phenylphosphoric acid | 75M88J863E | MONOPHENYL PHOSPHATE | PHENYLPHOSPHORICACID | 1o4o | B0026 | Phosphoric acid monop

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752393
• 정식 스마일: 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)
• 이성체 SMILES: C1=CC=C(C=C1)OP(=O)(O)O
• RTECS: SZ9652500
• PubChem CID: 12793
• 분자량: 174.09
• Beilstein: 6(4)708
• Reaxy-Rn: 1910238

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Moisture sensitive
• 녹는점(°C): 100 °C
• 분자량: 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

참고 문헌

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]

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 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.