1-(4-Chlorophenyl)cyclopropanecarbonitrile supplier

Name
1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE
EINECS 264-871-0
CAS No. 64399-27-5
Article Data16
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 52-56 °C
Formula C₁₀H₈ClN
Boiling Point 303.1 °C at 760 mmHg
Molecular Weight 177.633
Flash Point 133.1 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 36/37/38;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Chlorophenyl)-1-cyclopropanecarbonitrile;1-(4-Chlorophenyl)cyclopropanecarbonitrile;NSC 158282;
PSA 23.79000
LogP 2.89518

1-(4-Chlorophenyl)cyclopropanecarbonitrile Specification

The Cyclopropanecarbonitrile,1-(4-chlorophenyl)-, with the CAS registry number 64399-27-5, is also known as 1-(4-Chlorophenyl)cyclopropanecarbonitrile. Its EINECS registry number is 264-871-0. This chemical's molecular formula is C₁₀H₈ClN and molecular weight is 177.6302. What's more, its IUPAC name is 1-(4-Chlorophenyl)cyclopropane-1-carbonitrile. It should be stored in airtight containers and placed in a dry, cool place. When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should avoid contact with skin and eyes.

Physical properties about Cyclopropanecarbonitrile,1-(4-chlorophenyl)- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.53; (6)ACD/BCF (pH 7.4): 24.53; (7)ACD/KOC (pH 5.5): 343.87; (8)ACD/KOC (pH 7.4): 343.87; (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: 1.589; (14)Molar Refractivity: 48 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 19.03×10^-24 cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 54.34 kJ/mol; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000947 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C2(C#N)CC2
(2) InChI: InChI=1/C10H8ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2
(3) InChIKey: BVWSEHMDAKSWQW-UHFFFAOYAR

Product Name

1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE

1-(4-Chlorophenyl)cyclopropanecarbonitrile Specification

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