4-Isopropylaniline - ≥99% , CAS No.99-88-7

CAS: 99-88-7 Cat. No.: I101369 Fórmula: C₉H₁₃N Peso molecular: 135.21 Beilstein Registry Number: 1930544 Número EC: 202-797-2

GRADE & PURITY ≥99%

Synonyms

AKOS000119635 | 0D54T7V7XL | AM20060471 | SCHEMBL5955 | D71250 | 4-(2-propyl)aniline | 4-isopropanylaniline | STL164349 | 4-Isopropylaniline, PESTANAL(R), analytical standard | 4isopropylaniline | 4-ISOPROPYLANILINE | 4-iso-propylaniline | 4-isopropyl-ani

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000119635 | 0D54T7V7XL | AM20060471 | SCHEMBL5955 | D71250 | 4-(2-propyl)aniline | 4-isopropanylaniline | STL164349 | 4-Isopropylaniline, PESTANAL(R), analytical standard | 4isopropylaniline | 4-ISOPROPYLANILINE | 4-iso-propylaniline | 4-isopropyl-ani

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180444

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180444

Sonrisas canónicas

CC(C)C1=CC=C(C=C1)N

IUPAC Name

4-propan-2-ylaniline

InChIKey

LRTFPLFDLJYEKT-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

Isómeros SMILES

CC(C)C1=CC=C(C=C1)N

WGK Alemania

2

Peso molecular

135.21

Beilstein

1930544

Reaxy-Rn

1930544

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1930544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• External Descriptors: substituted aniline

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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 197.6 °F
• Punto de inflamación (°C): 92 °C
• Punto de ebullición (°C): 224°C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.900
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% 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 99-88-7, the molecular formula is C9H13N, and the molecular weight is 135.21 g/mol. InChIKey LRTFPLFDLJYEKT-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.