1,2-Epoxy-3-(4-nitrophenoxy)propane - ≥95% , CAS No.5255-75-4

CAS: 5255-75-4 Cat. No.: E342932 Fórmula: C₉H₉NO₄ Peso molecular: 195.18 Número CE: 226-057-3

GRADE & PURITY ≥95%

Synonyms

((p-Nitrophenoxy)methyl)oxirane | (2R)-2-[(4-nitrophenoxy)methyl]-oxirane | 1,2-Epoxy-3-(p-nitrophenoxy)propane | 1,2-Epoxy-3-(P-Nitrophenoxy)-Propane | 1,2-Epoxy-3(p-nitrophenoxy)-propane | MFCD00041845 | Oxirane, ((4-nitrophenoxy)methyl)- | 4-(2,3-epoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

((p-Nitrophenoxy)methyl)oxirane | (2R)-2-[(4-nitrophenoxy)methyl]-oxirane | 1,2-Epoxy-3-(p-nitrophenoxy)propane | 1,2-Epoxy-3-(P-Nitrophenoxy)-Propane | 1,2-Epoxy-3(p-nitrophenoxy)-propane | MFCD00041845 | Oxirane, ((4-nitrophenoxy)methyl)- | 4-(2,3-epoxy

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Propriedades do produto

• Dados Ki: Human immunodeficiency: Ki= 11 mM

Nomes e identificadores

• Pubchem Sid: 488182681
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182681
• Sorrisos canónicos: C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 2-[(4-nitrophenoxy)methyl]oxirane
• InChIKey: FPIGOBKNDYAZTP-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2
• SMILES isoméricas: C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]
• Peso molecular: 195.18
• Reaxy-Rn: 383926
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383926&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Epoxides Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Dialkyl ether - Oxirane - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• External Descriptors: C-nitro compound - aromatic ether - epoxide

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 (não humanos)

pol Human immunodeficiency virus type 1 protease (9113 Activities)

Discover Target: pol

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D1.58 (Predicted)
• Ponto de ebulição (°C): ~351.8° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 62-68° C
• Peso molecular: 195.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.053 Da
• Monoisotopic Mass: 195.053 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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?

This product is supplied at ≥95% purity (chemical assay). 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 5255-75-4, the molecular formula is C9H9NO4, and the molecular weight is 195.18 g/mol. InChIKey FPIGOBKNDYAZTP-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.