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52364-73-5

Basic Information
CAS No.: 52364-73-5
Name: [1,1'-Biphenyl]-4-carbonitrile,4'-(octyloxy)-
Molecular Structure:
Molecular Structure of 52364-73-5 ([1,1'-Biphenyl]-4-carbonitrile,4'-(octyloxy)-)
Formula: C21H25NO
Molecular Weight: 307.43
Synonyms: 4-Cyano-4'-octoxy-1,1'-biphenyl;4'-(Octyloxy)-4-cyanobiphenyl;4'-Octyloxy-1,1'-biphenyl-4-carbonitrile;M 24;M 24 (liquid crystal);p-(Octyloxy)-p'-cyanobiphenyl;p-Cyano-p'-(octyloxy)biphenyl;
EINECS: 257-878-5
Density: 1.03 g/cm3
Melting Point: 51-77 °C(lit.)
Boiling Point: 455.2 °C at 760 mmHg
Flash Point: 189.9 °C
Solubility:
Appearance:
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
Transport Information:
PSA: 33.02000
LogP: 5.96458
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  • Octyloxycyanobiphenyl

  • Casno:

    52364-73-5

    Octyloxycyanobiphenyl

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  • 4′-(Octyloxy)-4-biphenylcarbonitrile manufacturer

  • Casno:

    52364-73-5

    4′-(Octyloxy)-4-biphenylcarbonitrile manufacturer

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:White powder Storage:keep sealed and keep from direct light Package:According client's requirements Application:pharmaceutica

    Shanghai Yuanye Bio-Technology Co., Ltd. is a comprehensive enterprise of life science, specializing in the research, development and sales of biochemical reagents, analytical stan

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    Tel:+86-21-67811725

    Address:Building 6, No. 465, Changta Road,Songjiang District,Shanghai,China

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Specification

The Octyloxycyanobiphenyl with the cas number 52364-73-5 is also called [1,1'-Biphenyl]-4-carbonitrile,4'-(octyloxy)-. The IUPAC name is 4-(4-octoxyphenyl)benzonitrile. Its EINECS registry number is 257-878-5. The molecular formula is C21H25NO. This chemical belongs to the following product categories: (1)Biphenyl & Diphenyl ether; (2)Liquid Crystals; (3)Nematic; (4)Organic Electronics and Photonics.

The properties of the chemical are: (1)ACD/LogP: 6.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.83; (4)ACD/LogD (pH 7.4): 6.83; (5)ACD/BCF (pH 5.5): 91239.05; (6)ACD/BCF (pH 7.4): 91239.05; (7)ACD/KOC (pH 5.5): 123616.59; (8)ACD/KOC (pH 7.4): 123616.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 33.02Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 94.8 cm3; (15)Molar Volume: 296.3 cm3; (16)Polarizability: 37.58×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 71.5 kJ/mol; (19)Vapour Pressure: 1.78×10-8 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 1-bromo-octane and 4'-hydroxy-biphenyl-4-carbonitrile. This reaction needs reagent sodium isopropoxide and solvent propan-2-ol at heating condition. The reaction time is 1.0 hour. The yield is 65%.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1ccc(OCCCCCCCC)cc1)cc2
(2)InChI: InChI=1/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3
(3)InChIKey: GPGGNNIMKOVSAG-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.
rat LD50 oral > 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.