2-phenylethylphosphonic Acid - ≥98%(HPLC) , CAS No.4672-30-4

CAS: 4672-30-4 Cat. No.: P133714 Fórmula: C₈H₁₁O₃P Peso molecular: 186.15 PubChem CID: 78404

GRADE & PURITY ≥98%(HPLC)

Synonyms

NSC140288 | NSC-140288 | AS-58226 | UNII-RYS2CJ2L67 | EINECS 225-120-2 | T72496 | P-(2-PHENYLETHYL)PHOSPHONIC ACID | P2122 | (2-Phenylethyl)phosphonic acid | SCHEMBL1101314 | Phosphonic acid, (2-phenylethyl)- | phenethylphosphonicacid | Phosphonic acid,(2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC140288 | NSC-140288 | AS-58226 | UNII-RYS2CJ2L67 | EINECS 225-120-2 | T72496 | P-(2-PHENYLETHYL)PHOSPHONIC ACID | P2122 | (2-Phenylethyl)phosphonic acid | SCHEMBL1101314 | Phosphonic acid, (2-phenylethyl)- | phenethylphosphonicacid | Phosphonic acid,(2

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504755282

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755282

Sorrisos canónicos

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

IUPAC Name

2-phenylethylphosphonic acid

InChIKey

BFDYSJCMAFSRDH-UHFFFAOYSA-N

INCHI

1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

SMILES isoméricas

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

PubChem CID

78404

Peso molecular

186.15

Reaxy-Rn

2936828

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Alvos associados (humanos)

ACP1 Tchem Low molecular weight phosphotyrosine protein phosphatase (1161 Activities)

Discover Target: ACP1

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 138 °C
• Peso molecular: 186.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.045 Da
• Monoisotopic Mass: 186.045 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 4672-30-4, the molecular formula is C8H11O3P, and the molecular weight is 186.15 g/mol. InChIKey BFDYSJCMAFSRDH-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.