8.51054

CDI

1,1′-Carbonyldiimidazole Novabiochem^®

• Synonym(e): CDI, 1,1′-Carbonyl-diimidazole
• Empirische Formel (Hill-System): C₇H₆N₄O
• CAS-Nummer: 530-62-1
• Molekulargewicht: 162.15
• UNSPSC Code: 12352005
• EC Index Number: 208-488-9
• NACRES: NA.22
• MDL number: MFCD00005286

Eigenschaften

• Quality Segment: 200
• product line: Novabiochem^®
• assay: ≥97.0% (GC)
• form: powder
• potency: 1071 mg/kg LD₅₀, oral (Rat)
• reaction suitability: reaction type: Coupling Reactions
• manufacturer/tradename: Novabiochem^®
• 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

Beschreibung

General description

A useful coupling reagent for amidations, esterifications and thioesterifications ^[1,2,3,4].

Literature references

^[1] H. A. Staab (1957) Ann. Chem., 609, 75.
^[2] R. Paul, et al. (1960) J. Am. Chem. Soc., 82, 4596.
^[3] R. Paul, et al. (1962) J. Org. Chem., 27, 2094.
^[4] T. Kamijo, et al. (1984) Chem. Pharm. Bull., 32, 5044.

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.

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Color (visual): white to slight yellow to beige
Appearance of substance (visual): powder
Identity (IR): passes test
Solubility (0.6 mmole ind 2 ml DMF): clearly soluable

Other Notes

Replaces: 01-62-0002

Legal Information

Novabiochem is a registered trademark of Merck KGaA, Darmstadt, Germany

Sicherheitshinweise

• pictograms: GHS08,GHS05,GHS07
• signalword: Danger
• hcodes: H302,H314,H360D
• pcodes: 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. 1C
• Lagerklasse: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• flash_point_f: Not applicable
• flash_point_c: Not applicable