Imidazole - Ultra pure, ≥99%(NMR), useful in pH range 6.2-7.8 , CAS No.288-32-4

CAS: 288-32-4 Cat. No.: I755524 분자식: C₃H₄N₂ 분자량: 68.08 Beilstein Registry Number: 103853 EC 번호: 206-019-2

등급 & 순도 Ultra pure, ≥99%(NMR), useful in pH range 6.2-7.8

Storage

Room temperature

Shipped In

Normal

개요

Superior buffer in the pH range of 6.2-7.8. Has a pK_a of 7.0 at 20°C.

Useful in the pH range of 6.2-7.8.

Application:

• Prediction of adsorption performance of ZIF-67 for malachite green based on artificial neural network using L-BFGS algorithm.: Utilizing imidazole-based frameworks, specifically ZIF-67, this study showcases the effectiveness of imidazole structures in adsorbing and removing industrial dyes from water, highlighting environmental applications of imidazole in water treatment processes (Xiong C et al., 2024).

사양

사양 및 순도

Ultra pure, ≥99%(NMR), useful in pH range 6.2-7.8

보관 조건

Room temperature

배송

Normal

등급

Ultra pure

순수함

≥99%(NMR)

이름과 식별자

정식 스마일

C1=CN=CN1

IUPAC Name

1H-imidazole

InChIKey

RAXXELZNTBOGNW-UHFFFAOYSA-N

INCHI

1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

이성체 SMILES

C1=CN=CN1

WGK 독일

1

RTECS

NI3325000

UN 번호

2923

분자량

68.08

Beilstein

103853

Reaxy-Rn

103853

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103853&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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: an aromatic compound

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

화학 및 물리적 특성

• 용해성: water: 100 mg/mL
• 발화점(°C): 145℃
• 끓는점(°C): 257°C
• 녹는점(°C): 90-91°C
• 분자량: 68.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.0374 Da
• Monoisotopic Mass: 68.0374 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 28.100
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by NMR. Lot-specific values are stated on the Certificate of Analysis.

What does Ultra pure mean?

Ultra pure is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Ultra pure is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 288-32-4, the molecular formula is C3H4N2, and the molecular weight is 68.08 g/mol. InChIKey RAXXELZNTBOGNW-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.