4-Nitrophenyl decanoate - ≥98% , CAS No.1956-09-8

CAS: 1956-09-8 Cat. No.: N333265 Summenformel: C₁₆H₂₃NO₄ Molekulargewicht: 293.36 EG-Nummer: 625-505-9

GRADE & PURITY ≥98%

Synonyms

Decanoic acid 4-nitrophenyl ester | 4-Nitrophenyl decanoate, lipase substrate | Decanoic acid, 4-nitrophenyl ester | (4-nitrophenyl) Decanoate | DTXSID30403181 | SCHEMBL136672 | p-nitrophenyl decanoate | 4-Nitrophenyldecanoate | W-200567 | 4-NITROPHENYL D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Decanoic acid 4-nitrophenyl ester | 4-Nitrophenyl decanoate, lipase substrate | Decanoic acid, 4-nitrophenyl ester | (4-nitrophenyl) Decanoate | DTXSID30403181 | SCHEMBL136672 | p-nitrophenyl decanoate | 4-Nitrophenyldecanoate | W-200567 | 4-NITROPHENYL D

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504763018

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763018

Kanonisches Lächeln

CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

IUPAC Name

(4-nitrophenyl) decanoate

InChIKey

RRNKCSIEGPOIKI-UHFFFAOYSA-N

INCHI

1S/C16H23NO4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3

Isomere SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

WGK Deutschland

3

Molekulargewicht

293.36

Reaxy-Rn

1915230

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in chloroform (100 mg/mL)
• Schmelzpunkt (°C): 35° C
• Molekulargewicht: 293.360 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 293.163 Da
• Monoisotopic Mass: 293.163 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 306.000
• 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

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1956-09-8, the molecular formula is C16H23NO4, and the molecular weight is 293.36 g/mol. InChIKey RRNKCSIEGPOIKI-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.