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6542-60-5

Basic Information
CAS No.: 6542-60-5
Name: Cyclopropylacetonitrile
Article Data: 14
Molecular Structure:
Molecular Structure of 6542-60-5 (Cyclopropylacetonitrile)
Formula: C5H7N
Molecular Weight: 81.1173
Synonyms: (Cyanomethyl)cyclopropane;2-Cyclopropylacetonitrile;Cyclopropylacetonitrile;Cyclopropylcarbinylcyanide;Cyclopropylmethyl cyanide;
Density: 0.963 g/cm3
Boiling Point: 159.8 °C at 760 mmHg
Flash Point: 57.4 °C
Solubility: Miscible with water, methylene chloride and alcohols.
Hazard Symbols: ToxicT
Risk Codes: 10
Safety: 26-36/37/39-45
Transport Information: UN 1993
PSA: 23.79000
LogP: 1.31008
Synthetic route

potassium cyanide

7051-34-5

cyclopropylcarbinyl bromide

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
In dimethyl sulfoxide at 110℃; for 5h; Inert atmosphere;82%
530133-49-4

cyclopropylacetaldehyde oxime

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
With acetic anhydride In ethyl acetate at 25℃; for 3.5h; Heating / reflux;76.7%
143-33-9

sodium cyanide

7051-34-5

cyclopropylcarbinyl bromide

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
phase transfer;75%
In dimethyl sulfoxide at 120℃;41%
In dimethyl sulfoxide for 3h;
143-33-9

sodium cyanide

5911-08-0

chloro(cyclopropyl)methane

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
In dimethyl sulfoxide Heating;50%
151-50-8

potassium cyanide

7051-34-5

cyclopropylcarbinyl bromide

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
With ethanol
2516-33-8

Cyclopropylmethanol

143-33-9

sodium cyanide

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
(i) PBr3, (ii) NaCN, aq. EtOH; Multistep reaction;
109-75-1

but-3-enenitrile

6542-60-5

2-cyclopropylacetonitrile

Conditions
ConditionsYield
With palladium diacetate In diethyl ether for 0.166667h; Yield given;
6542-60-5

2-cyclopropylacetonitrile

62893-54-3

2-(cyclopropyl)ethylamine

Conditions
ConditionsYield
With lithium aluminium tetrahydride; sulfuric acid In diethyl ether for 2h; Heating;99%
With lithium aluminium tetrahydride; sulfuric acid In diethyl ether at 20℃; for 2h; Heating / reflux;70%
With lithium aluminium tetrahydride; sulfuric acid In diethyl ether for 2h; Heating / reflux;70%
6542-60-5

2-cyclopropylacetonitrile

1521-51-3

rac-3-bromocyclohexene

N-(cyclohex-2-en-1-yl)-2-cyclopropylacetamide

Conditions
ConditionsYield
With water; silver trifluoromethanesulfonate at 0℃; for 1h; Ritter Amidation; chemoselective reaction;97%
6542-60-5

2-cyclopropylacetonitrile

5239-82-7

cyclopropylacetic acid

Conditions
ConditionsYield
With water; potassium hydroxide In ethanol at 90℃; for 18h;96%
With dihydrogen peroxide; sodium hydroxide In water at 0℃; for 48h; Reflux; Inert atmosphere;83%
With dihydrogen peroxide; sodium hydroxide In water Reflux;81%
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Specification

This chemical is called Cyclopropaneacetonitrile, and its CAS registry number is 6542-60-5. With the molecular formula of C5H7N, its molecular weight is 81.12. Additionally, its product categories are C1 to C5; Cyanides / Nitriles; Nitrogen Compounds.

Other characteristics of the Cyclopropaneacetonitrile can be summarised as followings: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.3; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 41.91; (8)ACD/KOC (pH 7.4): 41.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 23.07 cm3; (15)Molar Volume: 84.1 cm3; (16)Polarizability: 9.14×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 0.963 g/cm3; (19)Flash Point: 57.4 °C; (20)Enthalpy of Vaporization: 39.64 kJ/mol; (21)Boiling Point: 159.8 °C at 760 mmHg; (22)Vapour Pressure: 2.46 mmHg at 25°C.

Production method of this chemical: The Cyclopropaneacetonitrile could be obtained by the reactants of bromomethyl-cyclopropane and hydrocyanic acid; sodium salt. The yield is 75 %.

Uses of this chemical: The could react with phenylmagnesium bromide, and obtain the cyclopropyl-2 acetophenone. The yield is 90 %.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable. Keep it away from the sources of ignition. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N#CCC1CC1
2.InChI: InChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
3.InChIKey: FAUQRRGKJKMEIW-UHFFFAOYAZ