8.02301
1,1′-Carbonyldiimidazole
Greener Alternative
for synthesis
Synonym(s):
1,1′-Carbonyldiimidazole
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About This Item
Empirical Formula (Hill Notation):
C7H6N4O
CAS Number:
Molecular Weight:
162.15
UNSPSC Code:
12352115
EC Index Number:
208-488-9
NACRES:
NA.22
MDL number:
Assay:
≥97.0% (GC)
Form:
powder
Quality Segment
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
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
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
Melting range (lower value): ≥ 115 °C
Melting range (upper value): ≤ 121 °C
Identity (IR): passes test
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 1B - Skin Corr. 1C
flash_point_f
Not applicable
flash_point_c
Not applicable
hcodes
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
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