2-Isopropylimidazole - ≥98% , CAS No.36947-68-9

CAS: 36947-68-9 Cat. No.: I136584 Formula: C₆H₁₀N₂ Molecular Weight: 110.16 EC Number: 253-286-6

GRADE & PURITY ≥98%

Synonyms

EINECS 253-286-6 | 2-(1-methylethyl)-1H-imidazole | GEMIFIOXACINMESYLATE | Z335243296 | 2-ACETYLAMINO-6-OXO-9-ACETYLPURINE | 2-isopropyl imidazole | 2-Isopropyl-1H-imidazole | 2-Isopropyl-1H-imidazole # | Q-200293 | 2-propan-2-yl-1H-imidazole | A92TUY97G2

Storage

Room temperature

Shipped In

Normal

Overview

It may be used in the preparation of following compounds: . Tetragonal nickel(II) complexes, NiL4X2 (X = Cl-, Br-, I-, SCN-, SeCN-, NO3-, ClO4-, PF6- or NiL4XClO4 (X = Cl-, Br-, I-, SCN-); . 1-Dodecyl-2-isopropylimidazole; . Bromidotetrakis(2-isopropyl-1H-imidazole-[κN3)copper(II) bromide.

Specifications

Synonyms

EINECS 253-286-6 | 2-(1-methylethyl)-1H-imidazole | GEMIFIOXACINMESYLATE | Z335243296 | 2-ACETYLAMINO-6-OXO-9-ACETYLPURINE | 2-isopropyl imidazole | 2-Isopropyl-1H-imidazole | 2-Isopropyl-1H-imidazole # | Q-200293 | 2-propan-2-yl-1H-imidazole | A92TUY97G2

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488187742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187742

Canonical Smiles

CC(C)C1=NC=CN1

IUPAC Name

2-propan-2-yl-1H-imidazole

InChIKey

FUOZJYASZOSONT-UHFFFAOYSA-N

INCHI

1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)

Isomeric SMILES

CC(C)C1=NC=CN1

WGK Germany

3

Molecular Weight

110.16

Reaxy-Rn

107804

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three 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

Chemical and Physical Properties

• Boil Point(°C): 256-260 °C(lit.)
• Melt Point(°C): 129-131°C(lit.)
• Molecular Weight: 110.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.084 Da
• Monoisotopic Mass: 110.084 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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

Frequently Asked Questions

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 36947-68-9, the molecular formula is C6H10N2, and the molecular weight is 110.16 g/mol. InChIKey FUOZJYASZOSONT-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.