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1,1'-Carbonyldiimidazole

CAS No.
530-62-1
Chemical Name:
1,1'-Carbonyldiimidazole
Synonyms
CDI;CARBONYLDIIMIDAZOLE;1,1'-CARBONYLDIIMIDAZOLE (CDI);DI(1H-IMIDAZOL-1-YL)METHANONE;N,N-CARBONYLDIIMIDAZOLE;N,N'-Carbonyldiimidazole;1,1-CARBONYL DIIMIDAZOLE;Diimidazolyl ketone;Di-imidazol-1-yl-methanone;CARBODIIMIDAZOLE
CBNumber:
CB0215374
Molecular Formula:
C7H6N4O
Molecular Weight:
162.15
MDL Number:
MFCD00005286
MOL File:
530-62-1.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-06-05 11:30:26

1,1'-Carbonyldiimidazole Properties

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 Range 7.7 at 50 g/l
PH 7.7 (50g/l, H2O, 20℃)
Water Solubility Insoluble in water
Sensitive Moisture Sensitive
Merck 14,1819
BRN 6826
Stability Stable, but moisture-sensitive. Incompatible with acids, strong oxidizing agents, water.
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)
FDA UNII 63A10X1FSP
EPA Substance Registry System 1H-Imidazole, 1,1'-carbonylbis- (530-62-1)
UNSPSC Code 12352115
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
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,Xn
Risk Statements  22-34-36/37/38-40-36/38
Safety Statements  26-36/37/39-45-37/39-27-36/37
RIDADR  UN 3263 8/PG 2
WGK Germany  2
10-21
Hazard Note  Harmful/Corrosive/Moisture Sensitive
TSCA  TSCA listed
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
REACH Registrations Active
Limited Quantities 1 Kg (2.2 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704
1
3 1

1,1'-Carbonyldiimidazole price More Price(123)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 8.51054 CDI 1,1′-Carbonyldiimidazole Novabiochem? 530-62-1 25g $189 2026-04-30 Buy
Sigma-Aldrich 8.02301 1,1′-Carbonyldiimidazole for synthesis 530-62-1 2G $36 2026-04-30 Buy
Sigma-Aldrich 8.51054 CDI 1,1′-Carbonyldiimidazole Novabiochem? 530-62-1 100g $562 2026-04-30 Buy
Sigma-Aldrich 8.02301 1,1′-Carbonyldiimidazole for synthesis 530-62-1 5G $37.3 2026-04-30 Buy
Sigma-Aldrich 8.51054 CDI 1,1′-Carbonyldiimidazole Novabiochem® 530-62-1 1 kg $1010 2026-04-30 Buy
Product number Packaging Price Buy
8.51054 25g $189 Buy
8.02301 2G $36 Buy
8.51054 100g $562 Buy
8.02301 5G $37.3 Buy
8.51054 1 kg $1010 Buy

1,1'-Carbonyldiimidazole Chemical Properties, Uses, Production

Chemical Properties

The substance appears as a white to slightly pale-yellow crystalline powder with a melting point range of 115.5-116°C. It exhibits poor solubility in water, while displaying solubility in alcohol and ether.

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

CDI, also known as 1,1'-carbonyldiimidazole, is a commonly used peptide coupling reagent in the synthesis of peptides and nucleoside triphosphates. It usually contains approximately 10% imidazole and reacts rapidly with carboxylic acids to produce acyl imidazoles. Later, it readily reacts with amines to create amides. In addition, CDI is useful in converting alcohols and amines into a range of chemical compounds, including carbamates, esters, and ureas.

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

32315-10-9
18156-74-6
530-62-1
Synthesis of 1,1'-Carbonyldiimidazole from Triphosgene and N-(Trimethylsilyl)imidazole
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View Latest Price from 1,1'-Carbonyldiimidazole manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
N,N'-Carbonyldiimidazole pictures 2026-09-15 N,N'-Carbonyldiimidazole
530-62-1
$1.00 300g 99.8% 20 TONS .GZ HONESTCHEM CO.,LTD
N,N'-Carbonyldiimidazole pictures 2026-09-15 N,N'-Carbonyldiimidazole
530-62-1
$1.00 10g 99.9% 20 TONS .GZ HONESTCHEM CO.,LTD
1,1'-Carbonyldiimidazole pictures 2026-09-15 1,1'-Carbonyldiimidazole
530-62-1
0.99 RongNa Biotechnology Co.,Ltd
LABOTEST-BB LT00233203 IM2 C O (DIIMIDAZOL-1-YL)KETONE AKOS BBS-00004316 RARECHEM AK HZ 0060 1.1'-CARBONYL-BIS-IMIDAZOLE 1H-IMIDAZOLE, 1,1'-CARBONYLBIS- 1,1’-carbonylbis-1h-imidazol 1,1’-Carbonyldiimidazol 1,1'-Carbonylbis-1H-imidazole [Coupling Agent for Peptides Synthesis] 1,1'-Carbonyldiimidazole [Coupling Agent for Peptides Synthesis] Bis(1H-imidazol-1-yl) ketone Bis(1-imidazolyl) ketone carbonyl-1,1’-bis-1H-diimidazole 1,1'-Carbonyldiimidazole,97% 1’-Carbonyldiimidazole 1,1'-Carbonyldiimida 1,1'-CarbonyldiiMidazole, >90% N'-CarbonyldiiMidazole (CDI) Product 2: N,N'-CarbonyldiiMidazole N,Nzzhlxy-Carbonyldiimidazole (CDI) CDI (Carbonyl Diimidazole) CARBONYLDIIMIDAZOLE N,N CDI (N,N'-Carbonyldiimidazole) 1,1-Carbonyldiimidazole99% N,N'-Carbonyldiimidazole, 98%+ N,N'-Carbonyl diimidazole (CDI) N,N'-Carbonyldiimidazole,97% N,N'-CARBONYL-BIS-(IMIDAZOLE) N,NCARBONYLDIIMIDAZOLE,HIGHPURITY N,N'-Carbonyldiimidazole 98% 1,1''-CARBONYLDIIMIDZOLE CDI 1,1''-CARBONYLDIIMIDAZOLE N.N''-CARBONYL DICMIDAZOLE 1H-Imidazole,1,1-carbonylbis-(9CI) Bis(iMidazol-1-yl) Ketone Bis(iMidazol-1-yl)Methanone NSC 67203 1,1'-Carbonylbis-1H-imidazole CDI 1,1'-CarbonyldiiMdazole 1,1''-CARBONYLDIIMIDAZOLE FOR SYNTHESIS CarbonyldiiMaidiazole n,ni-carbonyldiimidazole CDI >=97.0% (T) CDI reagent grade 1,1′-Carbonyldiimidazole solution CDI Vetec(TM) reagent grade, 97% Methanone, di-1H-imidazol-1-yl- N,N-Carbonyldiimidazole≥ 98% (Titration) N,N-Carbonyldiimidazole Manufacturer 97.0%(W) 1,1'-Carbonyldiimidazole [Coupling Agent for Peptides Synthesis]> 1,1'-Carbonyldiimidazole, > CDI 1,1'-Carbonyldiimidazole,98% 1,1'-CarbonyL e (CDI) China CARBONYLDIIMIDAZOLE 1,1'-Carbonyldiimidazole USP/EP/BP