4-Isopropylpyridine - ≥97% , CAS No.696-30-0

CAS: 696-30-0 Cat. No.: I136834 Formula: C₈H₁₁N Peso molecolare: 121.18 Beilstein Registry Number: 20(3/4)2795 Numero EC: 211-794-5

GRADE & PURITY ≥97%

Synonyms

EN300-85535 | FT-0618849 | 4-propan-2-ylpyridine | AMY7034 | 4-Isopropylpyridine | 4-iso-Propylpyridine | 4-Isopropyl-pyridine | T72840 | Pyridine, 4-(1-methylethyl)- | 4-(1-Methylethyl)pyridine | 4-(1-methylethyl)-pyridine | SY050693 | Pyridine, 4-isopro

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

EN300-85535 | FT-0618849 | 4-propan-2-ylpyridine | AMY7034 | 4-Isopropylpyridine | 4-iso-Propylpyridine | 4-Isopropyl-pyridine | T72840 | Pyridine, 4-(1-methylethyl)- | 4-(1-Methylethyl)pyridine | 4-(1-methylethyl)-pyridine | SY050693 | Pyridine, 4-isopro

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488184377

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184377

Sorrisi canonici

CC(C)C1=CC=NC=C1

IUPAC Name

4-propan-2-ylpyridine

InChIKey

FRGXNJWEDDQLFH-UHFFFAOYSA-N

INCHI

1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3

Isomeri SMILES

CC(C)C1=CC=NC=C1

Peso molecolare

121.18

Beilstein

20(3/4)2795

Reaxy-Rn

107611

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.5
• Punto di infiammabilità (°C): 66°C(lit.)
• Punto di ebollizione (°C): 178°C(lit.)
• Peso molecolare: 121.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 696-30-0, the molecular formula is C8H11N, and the molecular weight is 121.18 g/mol. InChIKey FRGXNJWEDDQLFH-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.