CAS No.64399-27-5,1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64399-27-5
Name:	1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBONITRILE
Article Data:	16

Formula:	C₁₀H₈ClN
Molecular Weight:	177.633
Synonyms:	1-(4-Chlorophenyl)-1-cyclopropanecarbonitrile;1-(4-Chlorophenyl)cyclopropanecarbonitrile;NSC 158282;
EINECS:	264-871-0
Density:	1.24 g/cm³
Melting Point:	52-56 °C
Boiling Point:	303.1 °C at 760 mmHg
Flash Point:	133.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38;
Safety:	24/25
PSA:	23.79000
LogP:	2.89518

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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