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5500-21-0

Basic Information
CAS No.: 5500-21-0
Name: Cyclopropanecarbonitrile
Molecular Structure:
Molecular Structure of 5500-21-0 (Cyclopropanecarbonitrile)
Formula: C4H5N
Molecular Weight: 67.09
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: ToxicT, FlammableF
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
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    Product Name: Cyclopropanecarbonitrile Synonyms: Medium BG 11 for Cyanobacteria;Cyclopropanecarboxylic acid nitrile;Cyclopropanenitrile;CYCLOPROPANECARBONITRILE;CYCLOPROPANE CYANIDE;CYCLOPROPYL CYANIDE;CYCLOPROPYLNITRILE;CYANOCYCLOPROPANE CAS: 55

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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