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| CAS No.: | 693-13-0 |
|---|---|
| Name: | N,N'-Diisopropylcarbodiimide |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14N2 |
| Molecular Weight: | 126.202 |
| Synonyms: | Carbodiimide,diisopropyl- (6CI,7CI,8CI);1,3-Diisopropylcarbodiimide;DIPC;Diisopropylcarbodiimide; |
| EINECS: | 211-743-7 |
| Density: | 0.83 g/cm3 |
| Melting Point: | 210-212 °C (dec) |
| Boiling Point: | 146.5 °C at 760 mmHg |
| Flash Point: | 33.9 °C |
| Appearance: | Colorless to pale yellow liquid |
| Hazard Symbols: |
 T+, T, F
|
| Risk Codes: | 10-26-36/37/38-41-42/43 |
| Safety: | 26-36/37/39-45-38-28-16 |
| Transport Information: | UN 2929 6.1/PG 1 |
| PSA: | 24.72000 |
| LogP: | 1.97710 |
| Conditions | Yield |
|---|---|
| With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.666667h; | 100% |
| Conditions | Yield |
|---|---|
| With cyclopentadienyl iron(II) dicarbonyl dimer In tetrahydrofuran at 60℃; for 24h; Reagent/catalyst; Inert atmosphere; | 99% |
| With cervantite; oxygen In 5,5-dimethyl-1,3-cyclohexadiene at 115℃; under 60006 Torr; for 4h; Temperature; Pressure; Reagent/catalyst; Autoclave; | 94.55% |
| With sodium chlorate; N-benzyl-N,N,N-triethylammonium chloride In water; benzene at 55 - 70℃; for 4h; Reagent/catalyst; Large scale; | 93% |
1,3-diisopropylurea
triphenylphosphine
A
Triphenylphosphine oxide
B
diisopropyl-carbodiimide
| Conditions | Yield |
|---|---|
| With aluminum oxide In dichloromethane constant current electrolysis; | A n/a B 92% |
| With aluminum oxide constant current electrolysis; | A n/a B 92% |
| Conditions | Yield |
|---|---|
| Stage #1: C29H60N8 With hydrogenchloride In tetrahydrofuran; diethyl ether Inert atmosphere; Stage #2: With water; sodium hydroxide In dichloromethane Inert atmosphere; | A 80.7% B n/a |
1,3-diisopropylurea
A
i-propyl isocyanide
B
Isopropylisocyanid-dichlorid
C
diisopropyl-carbodiimide
| Conditions | Yield |
|---|---|
| With sodium hydroxide; triethylamine In chloroform for 4h; Heating; | A 18% B 14% C 15% |
N1-cyano-N2,N3-diisopropylguanidine
A
1,3-diisopropylurea
B
diisopropyl-carbodiimide
| Conditions | Yield |
|---|---|
| With tert-butylhypochlorite; potassium tert-butylate In tetrachloromethane at -75℃; for 3h; | A 10% B 15% |
1,2-diisopropylhydrazine hydrochloride
diisopropyl-carbodiimide
hydrogenchloride
1,2-di-iso-propylhydrazine dihydrochloride
B
diisopropyl-carbodiimide
hydrogenchloride
1,2-diisopropylhydrazine hydrochloride
B
diisopropyl-carbodiimide
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IUPAC Name: N,N'-Di(Propan-2-yl)methanediimine
Synonyms of Diisopropylcarbodiimide (CAS NO.693-13-0): N,N'-Diisopropylcarbodiimide ; N,N'-Methanetetraylbis-2-propanamine ; 2-Propanamine, N,N'-methanetetraylbis- ; Carbodiimide, diisopropyl- ; N,N'-Methanetetraylbis(1-methylethylamine)
CAS NO: 693-13-0
Molecular Formula: C7H14N2
Molecular Weight: 126.20
Molecular Structure: 
EINECS: 211-743-7
Melting point: 210-212°C (dec)
Boiling point:145-148 °C(lit.)
Flash point : 93 °F
Density:0.815 g/mL at 20°C(lit.)
Refractive index: n20/D 1.433(lit.)
Sensitive: Moisture Sensitive
Storage temp: 2-8°C
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 24.72 Å2
Molar Refractivity: 40.16 cm3
Molar Volume: 150.8 cm3
Surface Tension: 24 dyne/cm
Enthalpy of Vaporization: 36.77 kJ/mol
Vapour Pressure: 5.84 mmHg at 25°C
Appearance: Colorless to pale yellow liquid
Product Categories of Diisopropylcarbodiimide (CAS NO.693-13-0): straight chain compounds;Amino Acid Derivatives;Aliphatics;Peptide Coupling Reagents;Biochemistry;Condensation & Active Esterification;Coupling Reactions (Peptide Synthesis);Peptide Synthesis;Synthetic Organic Chemistry;Peptide;Protected Amino Acids;Intermediates & Fine Chemicals;Pharmaceuticals
Diisopropylcarbodiimide (CAS NO.693-13-0) is used in peptide synthesis.
| 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, |
Reported in EPA TSCA Inventory.
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
10: Flammable
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.
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.
