693-13-0
Product Name:
N,N'-Diisopropylcarbodiimide
Formula:
C7H14N2
Synonyms:
N,N′-Diisopropylcarbodiimide;Diisopropylmethanediimine;N,N′-Diisopropylcarbodiimide;N,N′-Diisopropylcarbodiimide impregnated tablets;ChemDose, N,N′-Diisopropylcarbodiimide tablets
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Merck Index] |
|---|---|
| Color/Form | Colorless liquid |
| Boiling Point | 147 °C |
| Solubility | Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide, and tetrahydrofuran |
| Density | 0.806 g/cu cm at 25 °C |
| Vapor Pressure | 9.79 [mmHg] |
| Decomposition | When heated to decomposition it emits toxic fumes of /oxides of nitrogen/. |
| Refractive Index | Index of Refraction = 1.4320 at 20 °C |
| Kovats Retention Index | 908 |
| Other Experimental Properties | Flammable; Reacts with water to form 1,3-diisopropylurea |
| Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.20 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 126.115698455 g/mol |
| Monoisotopic Mass | 126.115698455 g/mol |
| Topological Polar Surface Area | 24.7 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | No |
PRODUCT INTRODUCTION
description
1,3-diisopropylcarbodiimide is a carbodiimide compound having an isopropyl substituent on both nitrogen atoms. It has a role as a peptide coupling reagent.