4-Cyclohexyl-1-nitrobenzene - ≥98% , CAS No.5458-48-0

CAS: 5458-48-0 Cat. No.: C185129 Formula: C₁₂H₁₅NO₂ Peso molecolare: 205.3

GRADE & PURITY ≥98%

Synonyms

AS-60179 | FUVKJYZTELKRRB-UHFFFAOYSA-N | EINECS 226-720-7 | 4-Cyclohexyl-1-nitrobenzene | E84039 | Z3226378263 | AM20040684 | Sch 16423 | NSC 23569 | benzene, 1-cyclohexyl-4-nitro- | 4-CYCLOHEXYL-1-NITROBENZENE 98 | SCHEMBL2651147 | Oprea1_266360 | 1-Cycl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AS-60179 | FUVKJYZTELKRRB-UHFFFAOYSA-N | EINECS 226-720-7 | 4-Cyclohexyl-1-nitrobenzene | E84039 | Z3226378263 | AM20040684 | Sch 16423 | NSC 23569 | benzene, 1-cyclohexyl-4-nitro- | 4-CYCLOHEXYL-1-NITROBENZENE 98 | SCHEMBL2651147 | Oprea1_266360 | 1-Cycl

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185748

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185748

Sorrisi canonici

C1CCC(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

1-cyclohexyl-4-nitrobenzene

InChIKey

FUVKJYZTELKRRB-UHFFFAOYSA-N

INCHI

1S/C12H15NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2

Isomeri SMILES

C1CCC(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Peso molecolare

205.3

Reaxy-Rn

2115632

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115632&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: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Proprietà chimiche e fisiche

• Peso molecolare: 205.250 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.11 Da
• Monoisotopic Mass: 205.11 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 210.000
• 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

Domande frequenti

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.

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 5458-48-0, the molecular formula is C12H15NO2, and the molecular weight is 205.3 g/mol. InChIKey FUVKJYZTELKRRB-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.