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

CAS: 99-88-7 Cat. No.: I101369 Formula: C₉H₁₃N Peso molecolare: 135.21 Beilstein Registry Number: 1930544 Numero 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

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488180444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180444
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)C1=CC=C(C=C1)N
• WGK Germania: 2
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.54
• Punto di infiammabilità (°F): 197.6 °F
• Punto di infiammabilità (°C): 92 °C
• Punto di ebollizione (°C): 224°C
• Peso molecolare: 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

Domande frequenti

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.