Cyclopropanecarbonitrile,1-(3-chlorophenyl)- supplier

Name
1-(3-CHLORO-PHENYL)-CYCLOPROPANECARBONITRILE
EINECS
CAS No. 124276-32-0
Article Data6
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClN
Boiling Point 316.5 °C at 760 mmHg
Molecular Weight 177.633
Flash Point 142.6 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(3-Chlorophenyl)cyclopropanecarbonitrile;
PSA 23.79000
LogP 2.89518

Cyclopropanecarbonitrile,1-(3-chlorophenyl)- Specification

The CAS registry number of Cyclopropanecarbonitrile,1-(3-chlorophenyl)- is 124276-32-0. This chemical's molecular formula is C₁₀H₈ClN and molecular weight is 177.6302. What's more, its systematic name is 1-(3-Chlorophenyl)cyclopropanecarbonitrile.

Physical properties about Cyclopropanecarbonitrile,1-(3-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: 142.6 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000409 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(c1)C2(CC2)C#N
(2) InChI: InChI=1/C10H8ClN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
(3) InChIKey: DHNLVTGCFXWYFU-UHFFFAOYAI

Product Name

1-(3-CHLORO-PHENYL)-CYCLOPROPANECARBONITRILE

Cyclopropanecarbonitrile,1-(3-chlorophenyl)- Specification

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