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N,N'-Diisopropylcarbodiimide structure
N,N'-Diisopropylcarbodiimide structure


Iupac Name:N,N'-di(propan-2-yl)methanediimine
CAS No.: 693-13-0
Molecular Weight:126.19946
Modify Date.: 2022-11-11 20:36
Introduction: Diisopropyl carbodiimide is used in peptide chemistryas a coupling reagent. It is very toxic and causedcontact dermatitis in a laboratory worker. View more+
1. Names and Identifiers
1.1 Name
1.2 Synonyms

1,3-Diisopropyl carbodiimide 1,3-diisopropylcarbodiimide 1,3-di-iso-propylcarbodiimide 2-Propanamine, N,N'-methanetetraylbis- 2-Propanamine, N-[(1-methylethyl)carbonimidoyl]- Bosutinib Impurity 11 Carbodiimide, diisopropyl- DIC DIC/DIPCDI DICI diisopropyl-carbodiimid Diisopropylcarbodiimide DIPC DIPCDI DIPCI EINECS 211-743-7 MFCD00065689 N,N'-bis(1-methylethyl)carbodiimide N,N'-diisopropylcarb N,N'-di-iso-propylcarbodiimide N,N'-Diisopropylcarbodiimide for synthesis N,N'-Dipropan-2-ylcarbodiimid N,N'-dipropan-2-ylcarbodiimide N,N'-Methanetetraylbis(1-methylethylamine) n,n'-methanetetraylbis(2-propanamine) PCI

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1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C7H14N2 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
210-212°C (dec)
2.1 Boiling point
2.1 Refractive index
2.1 Flash Point
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
Soluble in chloroform, methylene chloride, acetonitrile, dioxane, dimethylformamide andtetrahydrofuran.
2.2 Appearance
Colorless to Light-yellow Liquid
2.3 Storage
Moisture Sensitive. Store under Nitrogen. Ambient temperatures.
2.4 Chemical Properties
N,N'-Diisopropylcarbodiimide is colorless to pale yellow liquid
2.5 Color/Form
Clear colorless to yellow
2.6 Contact Allergens
It is used in peptide chemistry as a coupling reagent. It is very toxic and causes contact dermatitis in labora-tory workers. N,N'-Diisopropylcarbodiimide Preparation Products And Raw materials Preparation Products
2.7 Decomposition
When heated to decomposition it emits toxic fumes of /oxides of nitrogen/.
2.8 Water Solubility
2.9 Stability
Stable under normal temperatures and pressures.
2.10 StorageTemp
Store below +30°C.
3. Use and Manufacturing
3.1 Definition
ChEBI: A carbodiimide compound having an isopropyl substituent on both nitrogen atoms.
3.2 Usage
N,N'-Diisopropylcarbodiimide is used as an antineoplastic. Used in the treatment of malignant melanoma and sarcomas
4. Safety and Handling
4.1 Symbol
GHS05, GHS06, GHS08
4.1 Hazard Codes
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Packing Group
4.1 Hazard Class
4.1 Hazard Declaration
UN 2929 6.1/PG 1
4.1 Caution Statement
P260-P280-P284-P305 + P351 + P338-P310
4.1 WGK Germany
4.1 Report

Reported in EPA TSCA Inventory.

4.2 Safety

Safety Information about Diisopropylcarbodiimide (CAS NO.693-13-0):

Hazard Codes:? T+,T, ?F
The Risk Statements:?10-26-36/37/38-41-42/43
26:?Very Toxic by inhalation?
41:?Risk of serious damage to eyes?
36/37/38:?Irritating to eyes, respiratory system and skin?
42/43:?May cause sensitization by inhalation and skin contact?
The Safety Statements:?26-36/37/39-45-38-28-16
16:?Keep away from sources of ignition - No smoking?
26:?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of soap-suds.??
38:?In case of insufficient ventilation, wear suitable respiratory equipment?
45:?In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection?
RIDADR:UN 2929 6.1/PG 1
WGK Germany:3
Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx.

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4.3 Sensitive
Moisture Sensitive
4.4 Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Flammable liquid and vapor.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.?
Handling: Use spark-proof tools and explosion proof equipment. Do not get on skin and clothing. Do not breathe dust, vapor, mist, or gas. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.

4.5 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg) ? U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05886,

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2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Skin sensitization, Category 1

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 1

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

H330 Fatal if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.


P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: 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.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P320 Specific treatment is urgent (see ... on this label).

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.


P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


8. Other Information
8.0 Usage
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. In addition to this, it is used in the synthesis of acid anhydride, aldehyde, ketone and isocyanate.
8.1 BRN
8.2 Description
Diisopropyl carbodiimide is used in peptide chemistry as a coupling reagent. It is very toxic and caused contact dermatitis in a laboratory worker.
8.3 Chemical Properties
N,N'-Diisopropylcarbodiimide is colorless to pale yellow liquid
8.4 Uses
N,N'-Diisopropylcarbodiimide is used as an antineoplastic. Used in the treatment of malignant melanoma and sarcomas
8.5 Uses
This product 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. This product can also be used in synthesis of peptide and nucleic acid. It is easy to use this product to react with compound of free carboxy and amino-group into peptide. This product is widely used in medical, health, make-up and biological products, and other synthetic fields.
8.6 Uses
Activating reagent used in solid phase peptide synthesis.
8.7 Definition
ChEBI: A carbodiimide compound having an isopropyl substituent on both nitrogen atoms.
8.8 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.
9. Computational chemical data
  • Molecular Weight: 126.19946g/mol
  • Molecular Formula: C7H14N2
  • Compound Is Canonicalized: False
  • XLogP3-AA: 2.6
  • Exact Mass: 126.115698455
  • Monoisotopic Mass: 126.115698455
  • Complexity: 101
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 24.7
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
10. Question & Answer
  • Identification Product Name: N,N'-Diisopropylcarbodiimide Synonyms: Carbodiimide, diisopropyl-; diisopropyl-carbodiimid; Diisopropylcarbodiimide; N,N'-Diisopropylcarbodiimide≥ 99% (Assay); N,N'-Diiso..
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