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CAS RN: 1122-28-7 | Product Number: D2026

4,5-Dicyanoimidazole


Purity: >98.0%(HPLC)(N)
Synonyms:
  • 4,5-Imidazoledicarbonitrile
Product Documents:
25G
₩235,000
≥40  ≥100 
250G
₩1,200,700
1   ≥80 
* Please contact our distributor of SEJIN CI Co., Ltd. if you would like to purchase TCI products. The above prices do not include freight cost, customs charge and other charges to the destination. SEJIN CI Co., Ltd. (Phone: 02-2655-2480 / email:  sales@sejinci.co.kr)
* The storage conditions are subject to change without notice.

Product Number D2026
Purity / Analysis Method >98.0%(HPLC)(N)
Molecular Formula / Molecular Weight C__5H__2N__4 = 118.10 
Physical State (20 deg.C) Solid
Storage Temperature Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN 1122-28-7
Reaxys Registry Number 118208
PubChem Substance ID 87568478
MDL Number

MFCD00005194

Specifications
Appearance White to Light yellow powder to crystal
Purity(HPLC) min. 98.0 area%
Purity(with Total Nitrogen) min. 98.0 %
Properties (reference)
Melting Point 175 °C
GHS
Pictogram Pictogram
Signal Word Danger
Hazard Statements H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.
P270 : Do not eat, drink or smoke when using this product.
P271 : Use only outdoors or in a well-ventilated area.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P361 + P364 : Take off immediately all contaminated clothing and wash it before reuse.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.
P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.
P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.
P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.
P405 : Store locked up.
Related Laws:
Transport Information:
UN Number UN3439
Class 6.1
Packing Group III
H.S.code* 2933.29-000
*This code is applied to the products when TCI exports from Japan and not for import in your country.
Application
TCI Practical Example: Construction of the Phosphoramidite Using 4,5-Dicyanoimidazole (= DCI)

 TCI Practical Example: Construction of the Phosphoramidite Using 4,5-Dicyanoimidazole (= DCI)

Used Chemicals

Procedure

To an acetonitrile (2 mL) solution of 2-cyanoethyl N,N,N',N'-tetraisopropylphosphordiamidite (0.42 g, 1.4 mmol) and DCI (0.14 g, 1.2 mmol) were added a DMF solution of 1 (0.40 g, 1.2 mmol) under nitrogen atmosphere. The reaction mixture was stirred overnight at room temperature, then diluted with TBME and washed with H2O, DMF:H2O (1:1) solution, H2O and brine. The organic layer was concentrated under reduced pressure. The resulting crude product was purified by column chromatography (hexane:ethyl acetate:triethylamine = 1:2:0.03 on silica gel) to give 2 as a white powder (0.45 g, 68% yield).

Experimenter’s Comments

The reaction mixtures were monitored by LCMS.

Analytical Data

Compound 2

1H NMR (400 MHz, DMSO-d6); δ 11.36 (brs, 1H), 8.05-7.96 (m, 2H), 7.73-7.64 (m, 1H), 7.59-7.51 (m, 2H), 7.45-7.37 (m, 1H), 6.25-6.17 (m, 1H), 4.72-4.62 (m, 1H), 4.62-4.52 (m, 1H), 4.51-4.38 (m, 1H), 4.32-4.15 (m, 1H), 3.84-3.66 (m, 2H), 3.66-3.51 (m, 2H), 2.84-2.73 (m, 2H), 2.47-2.22 (m, 2H), 1.67-1.53 (m, 3H), 1.27-1.03 (m, 12H).

13C NMR (101 MHz, DMSO-d6); δ 165.5, 163.6, 150.4, 135.8, 133.7, 129.3 (3C), 128.9 (2C), 119.0, 109.9, 84.1, 82.8, 72.8, 64.9, 58.3 (2C), 42.7, 37.7, 24.3 (4C), 19.8, 11.9.

31P NMR (162 MHz, DMSO-d6); δ 147.89.

Lead Reference


PubMed Literature


Product Documents (Note: Some products will not have analytical charts available.)
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