N,N'-Diisopropylcarbodiimide Chemical Properties

Melting point:

210-2120C (dec)

Boiling point:

145-148 °C(lit.)

Density 

0.815 g/mL at 20 °C(lit.)

vapor pressure 

34.9hPa at 55.46℃

refractive index 

n20/D 1.433(lit.)

Flash point:

93 °F

storage temp. 

Store below +30°C.

solubility 

Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide andtetrahydrofuran.

form 

Liquid

color 

Clear colorless to yellow

Sensitive 

Moisture Sensitive

BRN 

878281

Stability:

Volatile

InChIKey

BDNKZNFMNDZQMI-UHFFFAOYSA-N

LogP

4.11 at 20℃

CAS DataBase Reference

693-13-0(CAS DataBase Reference)

NIST Chemistry Reference

2-Propanamine, N,N'-methanetetraylbis-(693-13-0)

EPA Substance Registry System

2-Propanamine, N,N'-methanetetraylbis- (693-13-0)

Safety Information

Hazard Codes 

T+,T,F,Xn

Risk Statements 

10-26-36/37/38-41-42/43-37/38

Safety Statements 

26-36/37/39-45-38-28A-16-22

RIDADR 

UN 2929 6.1/PG 1

WGK Germany 

3

RTECS 

FF2175000

F 

10-21

Hazard Note 

Flammable/Highly Toxic/

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

II

HS Code 

29252000

Hazardous Substances Data

693-13-0(Hazardous Substances Data)

MSDS

• Language:English Provider:N,N'-Diisopropylcarbodiimide
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

N,N'-Diisopropylcarbodiimide Usage And Synthesis

Description

Diisopropylcarbodiimide (DIC) is a clear liquid that can be easily dispensed by volume. It slowly reacts with moisture from the air, so for long term storage the bottle should be flushed with dry air or inert gas and sealed tightly. It is used in peptide chemistry as a coupling reagent. It is very toxic and caused contact dermatitis in a laboratory worker.

Chemical Properties

N,N'-Diisopropylcarbodiimide is colorless to pale yellow liquid. Insoluble in water, soluble in benzene, ethanol, ether.

Uses

N,N'-Diisopropylcarbodiimide is used as a reagent in synthetic organic chemistry. It serves as a chemical intermediate and as a stabilizer for Sarin (chemical weapon). It is also used in the synthesis of peptide and nucleic acid. Further, it is used as an antineoplastic and involved in the treatment of malignant melanoma and sarcomas. It is mainly used in amikacin, glutathione dehydrants, as well as in synthesis of acid anhydride, aldehyde, ketone, isocyanate; when it is used as dehydrating condensing agent, it reacts to dicyclohexylurea through short-time reaction under normal temperature.

Definition

ChEBI: A carbodiimide compound having an isopropyl substituent on both nitrogen atoms.

General Description

N,N′-Diisopropylcarbodiimide (DIC) is a carbodiimide used as a coupling reagent in the synthesis of amides, peptides, ureas, heterocycles, and unsymmetrical carbodiimides. It is also used in the polymerization reactions as an activator.

Contact allergens

It is used in peptide chemistry as a coupling reagent. It is very toxic and causes contact dermatitis in labora- tory workers.

Synthesis

Add N, N'diisopropylthiourea to the autoclave and use xylene as the solvent. The mass ratio of N, N'diisopropylthiourea to xylene solvent is 2:1. Add Sb2O4 catalyst (the amount of the catalyst is 1% of the total material), and oxygen is introduced. The temperature is increased to 115°C under a pressure of 8MPa for 4h, then lowered. Suction filtration at 15°C, decolorization, and vacuum distillation were used to obtain N, N'-Diisopropylcarbodiimide. The yield is 94.55%, and the purity is 99.55%.

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