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

CAS: 99-88-7 Cat. No.: I101369 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 Beilstein Registry Number: 1930544 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180444

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

2

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.54
• Flammpunkt (°F): 197.6 °F
• Flammpunkt (°C): 92 °C
• Siedepunkt (°C): 224°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.