115533

CDI

reagent grade

• Synonym(s): 1,1′-Carbonyldiimidazole
• Empirical Formula (Hill Notation): C₇H₆N₄O
• CAS Number: 530-62-1
• Molecular Weight: 162.15
• Beilstein: 6826
• EC Number: 208-488-9
• MDL number: MFCD00005286
• PubChem Substance ID: 24847221

Properties

• grade: reagent grade
• Quality Level: 200
• Assay: ≥90.0% (proton, NMR)
• form: solid
• reaction suitability: reaction type: Carbonylations
• greener alternative product characteristics: Designing Safer Chemicals; Learn more about the Principles of Green Chemistry.
• mp: 117-122 °C (lit.)
• application(s): peptide synthesis
• greener alternative category: Aligned
• SMILES string: O=C(n1ccnc1)n2ccnc2
• 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 Greener Chemistry. 1,1′-carbonyldiimidazole (CDI) is an alternative to highly toxic insidious poison phosgene and thus aligns with the principle "Designing Safer Chemicals". For more information see the article Controlled Synthesis of Asymmetric Dialkyl and Cyclic Carbonates Using the Highly Selective Reactions of Imidazole Carboxylic Esters.

Application

Coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. Also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.

Safety Information

• Pictograms: GHS05,GHS07,GHS08
• Signal Word: Danger
• Hazard Statements: H302 - H314 - H360D
• Precautionary Statements: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1B
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves