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693-13-0

Basic Information
CAS No.: 693-13-0
Name: N,N'-Diisopropylcarbodiimide
Article Data: 50
Molecular Structure:
Molecular Structure of 693-13-0 (N,N'-Diisopropylcarbodiimide)
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: VeryT+,ToxicT,FlammableF
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
Synthetic route
374899-60-2

Fmoc-hydroxynorleucine

C153H224N12O20*ClH

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
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%
2986-17-6

1,3-diisopropylthiourea

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
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%
4128-37-4

1,3-diisopropylurea

603-35-0

triphenylphosphine

A

791-28-6

Triphenylphosphine oxide

B

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
With aluminum oxide In dichloromethane constant current electrolysis;A n/a
B 92%
With aluminum oxide constant current electrolysis;A n/a
B 92%

C29H60N8

A

1412904-60-9

HC[C(Ni-Pr)NHi-Pr]3

B

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
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
4128-37-4

1,3-diisopropylurea

A

598-45-8

i-propyl isocyanide

B

29119-58-2

Isopropylisocyanid-dichlorid

C

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
With sodium hydroxide; triethylamine In chloroform for 4h; Heating;A 18%
B 14%
C 15%
78822-77-2

N1-cyano-N2,N3-diisopropylguanidine

A

4128-37-4

1,3-diisopropylurea

B

693-13-0

diisopropyl-carbodiimide

Conditions
ConditionsYield
With tert-butylhypochlorite; potassium tert-butylate In tetrachloromethane at -75℃; for 3h;A 10%
B 15%
60-29-7

diethyl ether

3711-34-0

N,N'-diisopropylhydrazine

mercury oxide

mercury oxide

693-13-0

diisopropyl-carbodiimide

26254-05-7

1,2-diisopropylhydrazine hydrochloride

copper (II)-oxide

copper (II)-oxide

693-13-0

diisopropyl-carbodiimide

7647-01-0

hydrogenchloride

26254-05-7, 76529-44-7, 124891-86-7

1,2-di-iso-propylhydrazine dihydrochloride

sodium nitrite (excessive)

sodium nitrite (excessive)

A

N,N'-diisopropyl-N-nitroso-hydrazine

B

693-13-0

diisopropyl-carbodiimide

7647-01-0

hydrogenchloride

26254-05-7

1,2-diisopropylhydrazine hydrochloride

sodium nitrite (excessive)

sodium nitrite (excessive)

A

N,N'-diisopropyl-N-nitroso-hydrazine

B

693-13-0

diisopropyl-carbodiimide

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Chemistry

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

Uses

 Diisopropylcarbodiimide (CAS NO.693-13-0) is used in peptide synthesis.

Toxicity Data With Reference

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,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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.

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.

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