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86871-36-5

Basic Information
CAS No.: 86871-36-5
Name: 4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE
Molecular Structure:
Molecular Structure of 86871-36-5 (4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE)
Formula: C18H25N
Molecular Weight: 255.40
Synonyms: trans-4-Pentyl(4-cyanophenyl)cyclohexane;Benzonitrile, 4-(4-pentylcyclohexyl)-;
EINECS: 262-656-6
Density: 0.97 g/cm3
Melting Point: 30-55 °C(lit.)
Boiling Point: 381 °C at 760 mmHg
Flash Point: 185.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 23.79000
LogP: 5.41238
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  • Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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    86871-36-5

    Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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  • Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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    Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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  • 4-(4-pentylphenyl)cyclohexane-1-carbonitrile cas no. 86871-36-5 98%

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    86871-36-5

    4-(4-pentylphenyl)cyclohexane-1-carbonitrile cas no. 86871-36-5 98%

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    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

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  • 4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE

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    86871-36-5

    4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE

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  • Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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    86871-36-5

    Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-

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  • 4-(trans-4-pentylcyclohexyl) benzonitrile

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    86871-36-5

    4-(trans-4-pentylcyclohexyl) benzonitrile

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    Application:Pharmaceutical intermediates

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Specification

The Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans-, with the CAS registry number 86871-36-5, is also known as trans-4-Pentyl(4-cyanophenyl)cyclohexane. Its EINECS number is 262-656-6. This chemical's molecular formula is C18H25N and molecular weight is 255.40. What's more, its systematic name is 4-(4-pentylcyclohexyl)benzonitrile.

Physical properties of Cyclohexanecarbonitrile, 4-(4-pentylphenyl)-, trans- are: (1)ACD/LogP: 6.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.79; (4)ACD/LogD (pH 7.4): 6.79; (5)ACD/BCF (pH 5.5): 85505.86; (6)ACD/BCF (pH 7.4): 85505.86; (7)ACD/KOC (pH 5.5): 118005.51; (8)ACD/KOC (pH 7.4): 118005.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 80.16 cm3; (15)Molar Volume: 262.5 cm3; (16)Polarizability: 31.78×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 185.3 °C; (20)Enthalpy of Vaporization: 62.93 kJ/mol; (21)Boiling Point: 381 °C at 760 mmHg; (22)Vapour Pressure: 5.22E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C2CCC(CCCCC)CC2
(2)Std. InChI: InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3
(3)Std. InChIKey: FURZYCFZFBYJBT-UHFFFAOYSA-N