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8.51054

CDI

1,1′-Carbonyldiimidazole Novabiochem®

greener alternative

Greener Alternative

Synonym(s):

CDI, 1,1′-Carbonyl-diimidazole

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About This Item

Empirical Formula (Hill Notation):
C7H6N4O
CAS Number:
530-62-1
Molecular Weight:
162.15
UNSPSC Code:
12352005
EC Index Number:
208-488-9
NACRES:
NA.22
MDL number:
MFCD00005286
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Quality Segment

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

Sustainability features

pH

7.7 (20 °C, 50 g/L in H2O)

mp

116-120 °C

application(s)

peptide synthesis

greener alternative category

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

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

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Signal Word

Danger

Hazard Codes

H302,H314,H360D

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1C

Storage Class

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

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