| Identification | More | [Name]
1,1'-Carbonyldiimidazole | [CAS]
530-62-1 | [Synonyms]
1,1'-CARBONYLBIS-1H-IMIDAZOLE
1.1'-CARBONYL-BIS-IMIDAZOLE
1,1-CARBONYL DIIMIDAZOLE
1,1'-CARBONYLDIIMIDAZOLE
1H-IMIDAZOLE, 1,1'-CARBONYLBIS-
AKOS BBS-00004316
CARBODIIMIDAZOLE
CARBONYLDIIMIDAZOLE
CDI
DI(1H-IMIDAZOL-1-YL)METHANONE
(DIIMIDAZOL-1-YL)KETONE
IM2 C O
LABOTEST-BB LT00233203
N,N'-CARBONYLDIIMIDAZOLE
N,N-CARBONYLDIIMIDAZOLE
RARECHEM AK HZ 0060
1,1’-carbonylbis-1h-imidazol
carbonylimidazole
1,1'-CARBONYLDIIMIDAZOLE (CDI)
CARBONYLDIIMIDAZOLE N,N | [EINECS(EC#)]
208-488-9 | [Molecular Formula]
C7H6N4O | [MDL Number]
MFCD00005286 | [Molecular Weight]
162.15 | [MOL File]
530-62-1.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystalline powder | [Melting point ]
117-122 °C(lit.)
| [Boiling point ]
288.83°C (rough estimate) | [density ]
1.303 g/mL at 25 °C | [vapor pressure ]
0.006-0.012Pa at 20-25℃ | [refractive index ]
n20/D1.434 | [storage temp. ]
2-8°C
| [solubility ]
Soluble in dimethylformamide. | [form ]
Crystalline Powder | [pka]
2.90±0.10(Predicted) | [color ]
White to light cream | [PH]
7.7 (50g/l, H2O, 20℃) | [PH Range]
7.7 at 50 g/l | [Stability:]
Stable, but moisture-sensitive. Incompatible with acids, strong oxidizing agents, water. | [Water Solubility ]
Insoluble in water | [Sensitive ]
Moisture Sensitive | [Detection Methods]
HPLC | [Merck ]
14,1819 | [BRN ]
6826 | [InChI]
1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H | [InChIKey]
PFKFTWBEEFSNDU-UHFFFAOYSA-N | [SMILES]
O=C(n1ccnc1)n2ccnc2 | [CAS DataBase Reference]
530-62-1(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen;Moisture sensitive | [EPA Substance Registry System]
530-62-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
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 Codes ]
C,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3263 8/PG 2
| [WGK Germany ]
2
| [F ]
10-21 | [Hazard Note ]
Harmful/Corrosive/Moisture Sensitive | [TSCA ]
T | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29332990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B | [Toxicity]
LD50 orally in Rabbit: 1071 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Application]
Peptide coupling reagent1,1'-Carbonyldiimidazole acts as a coupling reagent and utilized for coupling of amino acids in order to prepare peptide in organic synthesis. It is also used in the preparation of beta-keto sulfones, sulfoxides and beta-enamino acid derivatives. It is used to convert alcohols and amines into carbamates, esters, and ureas. It is involved in the preparation of formylized imidazole by reaction with formic acid. Further, it is used in the synthesis of dipolar polyamides compounds. In addition to this, it is considered as an equivalent of phosgene and used to prepare asymmetric bis alkyl carbonate. | [Uses]
1,1'-Carbonyldiimidazole(530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.
| [Preparation]
1,1'-Carbonyldiimidazole has been prepared by the reaction of imidazole and phosgene in anhydrous benzene and anhydrous tetrahydrofuran. It has also been obtained by the reaction of 1-(trimethylsilyl)imidazole and phosgene in anhydrous benzene, but that method offers no advantages that justify the more extensive preparative effort required.
DOI: 10.15227/orgsyn.048.0044 | [General Description]
1,1′-Carbonyldiimidazole (N,N′-carbonyldiimidazole) is a versatile peptide-forming reagent. | [reaction suitability]
reaction type: Coupling Reactions | [Purification Methods]
Crystallise it from *benzene or tetrahydrofuran in a dry-box and store it dry. [Hearn Methods Enzymol 135 102 1987, Beilstein 23/4 V 245.] | [Precautions]
1,1'-Carbonyldiimidazole is incompatible with oxidizing agents and strong acids and should not be stored or handled near them. Store in a refrigerator, under inert gas and protected from moisture. This substance is heat sensitive and moisture sensitive. | [References]
[1] Journal of Nanoscience and Nanotechnology, 2018, vol. 18, # 1, p. 234 - 241 |
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