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CAS No.: | 124276-32-0 |
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Name: | 1-(3-CHLORO-PHENYL)-CYCLOPROPANECARBONITRILE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H8ClN |
Molecular Weight: | 177.633 |
Synonyms: | 1-(3-Chlorophenyl)cyclopropanecarbonitrile; |
Density: | 1.24 g/cm3 |
Boiling Point: | 316.5 °C at 760 mmHg |
Flash Point: | 142.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 23.79000 |
LogP: | 2.89518 |
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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