8.02301

1,1′-Carbonyldiimidazole

for synthesis

• Synonym(s): 1,1′-Carbonyldiimidazole
• Empirical Formula (Hill Notation): C₇H₆N₄O
• CAS Number: 530-62-1
• Molecular Weight: 162.15
• UNSPSC Code: 12352115
• EC Index Number: 208-488-9
• NACRES: NA.22
• MDL number: MFCD00005286
• Assay: ≥97.0% (GC)
• Form: powder

Properties

• Quality Segment: 200
• assay: ≥97.0% (GC)
• form: powder
• potency: 1071 mg/kg LD₅₀, oral (Rat)
• reaction suitability: reaction type: Carbonylations
• greener alternative product characteristics: Designing Safer Chemicals; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• pH: 7.7 (20 °C, 50 g/L in H₂O)
• mp: 116-120 °C
• application(s): peptide synthesis
• greener alternative category: Aligned
• storage temp.: 2-8°C
• SMILES string: [n]2(cncc2)C(=O)[n]1cncc1
• InChI: 1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
• InChI key: PFKFTWBEEFSNDU-UHFFFAOYSA-N

Description

General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of the 12 Principles of Green Chemistry. 1,1′-carbonyldiimidazole (CDI) is an alternative to highly toxic insidious poison phosgene and thus aligns with the principle "Designing Safer Chemicals". Click here for more information.

Application

• Facile Synthesis of 2-(1H-indol-3-yl)-acetamides: Synthesizing acetamides using 1,1′-Carbonyldiimidazole, showcasing its role in forming a reactive intermediate with pyridine (KMK Kanwal, B Fatima, B Bano, U Salar - J. Chem. Soc. Pak, 2016).


• Nanoflower Enhanced Capacitive Aptasensor: The synthesis of a novel hybrid nanoflower using 1,1′-Carbonyldiimidazole for attomolar detection limits in milk contamination detection (IG Subramani, V Perumal, SCB Gopinath - Scientific Reports, 2021).


• Thermodynamic Properties Analysis: The data on the thermodynamic properties of 1,1′-Carbonyldiimidazole and its applications in understanding material behaviors (JB Campos, JM Toro Jauregui - Journal of the Mexican Chemical Society, 2020).


• Synthesis of Deuterated Triacylglycerides: The use of 1,1′-Carbonyldiimidazole in the synthesis of medium chain triglyceride oil, highlighting its application in food emulsion studies (K Schwärzer, T Heiden‐Hecht, Y Chen - European Journal of Organic Chemistry, 2023).


• Mechanochemical Carbamate Synthesis: The use of 1,1′-Carbonyldiimidazole in an eco-friendly synthesis of carbamates, demonstrating its versatility as an acyl transfer reagent (M Lanzillotto, L Konnert, F Lamaty - ACS Sustainable Chemistry & Engineering, 2015).

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Melting range (lower value): ≥ 115 °C
Melting range (upper value): ≤ 121 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H314
• pcodes: P260 - P270 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
• wgk: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• Storage Class: 8A - Combustible corrosive hazardous materials