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Name	N,N'-Diisopropylcarbodiimide	EINECS	211-743-7
CAS No.	693-13-0	Density	0.83 g/cm³
PSA	24.72000	LogP	1.97710
Solubility	N/A	Melting Point	210-212 °C (dec)
Formula	C₇H₁₄N₂	Boiling Point	146.5 °C at 760 mmHg
Molecular Weight	126.202	Flash Point	33.9 °C
Transport Information	UN 2929 6.1/PG 1	Appearance	Colorless to pale yellow liquid
Safety	26-36/37/39-45-38-28-16	Risk Codes	10-26-36/37/38-41-42/43
Molecular Structure		Hazard Symbols	T+,T,F
Synonyms	Carbodiimide,diisopropyl- (6CI,7CI,8CI);1,3-Diisopropylcarbodiimide;DIPC;Diisopropylcarbodiimide;	Article Data	50

N,N'-Diisopropylcarbodiimide Synthetic route

: 374899-60-2
Fmoc-hydroxynorleucine

: C153H224N12O20*ClH

: 693-13-0
diisopropyl-carbodiimide

Conditions

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%

: 2986-17-6
1,3-diisopropylthiourea

: 693-13-0
diisopropyl-carbodiimide

Conditions

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%

: 4128-37-4
1,3-diisopropylurea

: 603-35-0
triphenylphosphine

A: 791-28-6
Triphenylphosphine oxide

B: 693-13-0
diisopropyl-carbodiimide

Conditions

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%

: C29H60N8

A: 1412904-60-9
HC[C(Ni-Pr)NHi-Pr]3

B: 693-13-0
diisopropyl-carbodiimide

Conditions

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

: 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

Conditions	Yield
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

Conditions	Yield
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

N,N'-Diisopropylcarbodiimide Chemical Properties

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

N,N'-Diisopropylcarbodiimide Uses

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

N,N'-Diisopropylcarbodiimide 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,

N,N'-Diisopropylcarbodiimide Consensus Reports

Reported in EPA TSCA Inventory.

N,N'-Diisopropylcarbodiimide 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 NO_x.

N,N'-Diisopropylcarbodiimide 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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