CAS No.5500-21-0,Cyclopropanecarbonitrile Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5500-21-0
Name:	Cyclopropanecarbonitrile
Article Data:	43

Formula:	C₄H₅N
Molecular Weight:	67.0904
Synonyms:	Cyanocyclopropane;Cyclopropylnitrile;Cyclopropyl cyanide;Cyclopropanenitrile;
EINECS:	226-836-8
Density:	0.96 g/cm³
Melting Point:	-25oC
Boiling Point:	135 °C at 760 mmHg
Flash Point:	32.8 °C
Solubility:	Miscible with water.
Appearance:	clear colorless to faintly yellow liquid
Hazard Symbols:	T, F
Risk Codes:	10-23/24/25-36/37/38
Safety:	23-26-36/37-45-36/37/39-16-7/9
Transport Information:	UN 3275 6.1/PG 2
PSA:	23.79000
LogP:	0.91998

Synthetic route

: 628-20-6
4-Chlorobutyronitrile

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sodium chloride In water; dimethyl sulfoxide	98%
With sodium hydride In ethylene glycol; mineral oil at 20 - 80℃; for 0.5h; Solvent; Reagent/catalyst;	97.2%
With potassium tert-butylate In tetrahydrofuran at -30℃; for 0.333333h;	89%

: 5332-06-9
4-bromobutanenitrile

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With sodium In ethylene glycol at 20 - 50℃; for 0.25h; Temperature; Solvent; Reagent/catalyst;	98%
With ammonia; sodium amide; ferric nitrate
With tetra(n-butyl)ammonium hydroxide In xylene at 40℃;

: 6727-73-7
4-iodobutyronitrile

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With sodium hydride In ethylene glycol; mineral oil at 20 - 40℃; for 0.166667h; Solvent; Reagent/catalyst;	96.5%

: 58644-53-4
cyclopropyl isocyanide

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
at 520 - 550℃; under 0.01 Torr;	92%
With 1,1-Diphenylethylene In various solvent(s) at 210℃; Rate constant; Thermodynamic data; ΔG(excit.) <250 deg C>; ΔH(excit.), ΔS(excit.);	98 % Chromat.

: 107-13-1
acrylonitrile

: 74-95-3
1,1-dibromomethane

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With sodium iodide; nickel dibromide; zinc In tetrahydrofuran at 0℃; for 42h;	92%

: 6228-73-5
Cyclopropancarbamid

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With thionyl chloride In toluene for 8h; Reflux;	91%
With trichloromethyl chloroformate In various solvent(s) 0-5 deg C then heated to 60 deg C, 5 min;	86%
With phosphorus pentoxide at 235℃; for 1h; Temperature;

: 77100-86-8
2,4-dichlorobutanenitrile

: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With tetraethylammonium tosylate In dimethyl sulfoxide for 10h; electrolysis;	83%

: 5332-06-9
4-bromobutanenitrile

A: 628-22-8
4-hydroxy-1-butanitrile

B: 5500-21-0
cyclopropropanecarbonitrile

Conditions

Conditions	Yield
With oxygen; tetraethylammonium perchlorate In N,N-dimethyl-formamide at 20℃; electroreduction at -1.1 V;	A 10% B 67%

: 628-20-6
4-Chlorobutyronitrile

: 100-52-7
benzaldehyde

A: 5500-21-0
cyclopropropanecarbonitrile

: trans-2-Phenyltetrahydrofuran-3-carbonitrile

: cis-2-Phenyltetrahydrofuran-3-carbonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at -30℃; for 0.333333h; Title compound not separated from byproducts;	A 21% B n/a C n/a
With potassium tert-butylate In tetrahydrofuran at -30℃; Product distribution; Further Variations:; Reagents; Temperatures;	A 11% B n/a C n/a

...Expand

: 628-20-6
4-Chlorobutyronitrile

: 104-88-1
4-chlorobenzaldehyde

A: 5500-21-0
cyclopropropanecarbonitrile

: trans-2-(4-Chlorophenyl)tetrahydrofuran-3-carbonitrile

: cis-2-(4-Chlorophenyl)tetrahydrofuran-3-carbonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at -30℃; for 0.333333h; Title compound not separated from byproducts;	A 16% B n/a C n/a

...Expand

Raw Materials

141-52-6

107-13-1

Downstream Products

95-52-3

Total:122 Page 1 of 4 1 2 3 4 Next>>

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Specification

The Cyclopropanecarbonitrile, with the CAS registry number 5500-21-0 and EINECS registry number 226-836-8, is a kind of clear colorless to faintly yellow liquid. And the molecular formula of this chemical is C₄H₅N. It belongs to the following product categories: Pharmaceutical Intermediates; Cyclopropanes; Simple 3-Membered Ring Compounds.

The physical properties of Cyclopropanecarbonitrile are as following: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.54; (8)ACD/KOC (pH 7.4): 21.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 18.43 cm³; (15)Molar Volume: 69.6 cm³; (16)Polarizability: 7.3×10^-24cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.96 g/cm³; (19)Flash Point: 32.8 °C; (20)Enthalpy of Vaporization: 35.55 kJ/mol; (21)Boiling Point: 135 °C at 760 mmHg; (22)Vapour Pressure: 7.88 mmHg at 25°C.

Uses of Cyclopropanecarbonitrile: It can react with phenylmagnesium bromide to produce cyclopropyl-phenyl ketone-imine. This reaction will need solvent diethyl ether. The reaction time is 2 hours with ambient temperature, and the yield is about 65%.

Cyclopropanecarbonitrile can react with phenylmagnesium bromide to produce cyclopropyl-phenyl ketone-imine

You should be cautious while dealing with this chemical. It is a flammable chemcial which is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC1CC1
(2)InChI: InChI=1/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
(3)InChIKey: AUQDITHEDVOTCU-UHFFFAOYAL