CAS No.41424-11-7,4'-(Hexyloxy)-4-biphenylcarbonitrile Suppliers,MSDS download

Products Categories

Organic Chemicals (15)
Pharmaceutical (14)
Materials (8)
Others (2)
Basic Inorganic Chemicals (2)

Basic Information

Molecular Structure:
CAS No.:	41424-11-7
Name:	4'-(Hexyloxy)-4-biphenylcarbonitrile
Article Data:	3

Formula:	C₁₉H₂₁NO
Molecular Weight:	279.382
Synonyms:	CHB;Liquid crystal 549;4-(Hexyloxy)(1,1-biphenyl)-4-carbonitrile;4-(Hexyloxy)-(1,1-biphenyl)-4-carbonitrile;4-Hexyloxycyanodiphenyl;(1,1-Biphenyl)-4-carbonitrile, 4-(hexyloxy)-;[1,1'-Biphenyl]-4-carbonitrile,4'-(hexyloxy)-;4-(4-Hexyloxyphenyl)benzonitrile;6OCB;4-Cyano-4-hexoxybiphenyl;4-(4-hexoxyphenyl)benzonitrile;4-Hexyloxy-4'-cyanobiphenyl;
EINECS:	255-358-2
Density:	1.05 g/cm³
Melting Point:	56-58 °C
Boiling Point:	430.5 °C at 760 mmHg
Flash Point:	180.2 °C
Solubility:	Slightly soluble in water.
Appearance:	liquid crystal
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	33.02000
LogP:	5.18438

Total:37 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 41424-11-7

Specification

The IUPAC name of 4'-(Hexyloxy)-4-biphenylcarbonitrile is 4-(4-hexoxyphenyl)benzonitrile. With the CAS registry number 41424-11-7, it is also named as (1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-. The product's categories are Liquid Crystals; Nematic; Organic Electronics and Photonics. Besides, it is liquid crystal. In addition, its molecular formula is C₁₉H₂₁NO and molecular weight is 279.38.

The other characteristics of this product can be summarized as: (1)EINECS: 255-358-2; (2)ACD/LogP: 5.77; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.77; (5)ACD/LogD (pH 7.4): 5.77; (6)ACD/BCF (pH 5.5): 14207.85; (7)ACD/BCF (pH 7.4): 14207.85; (8)ACD/KOC (pH 5.5): 32656.34; (9)ACD/KOC (pH 7.4): 32656.34; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 33.02 Å²; (14)Index of Refraction: 1.561; (15)Molar Refractivity: 85.54 cm³; (16)Molar Volume: 263.8 cm³; (17)Polarizability: 33.91×10^-24cm³; (18)Surface Tension: 45.1 dyne/cm; (19)Density: 1.05 g/cm³; (20)Flash Point: 180.2 °C; (21)Melting point 56-58 °C; (22)Enthalpy of Vaporization: 68.59 kJ/mol; (23)Boiling Point: 430.5 °C at 760 mmHg; (24)Vapour Pressure: 1.29E-07 mmHg at 25 °C.

Uses of 4'-(Hexyloxy)-4-biphenylcarbonitrile: this chemical is intermediate of liquid crystals. Furthermore, it can react with 1-Bromo-hexane to get 4'-Hexyloxy-biphenyl-4-carbonitrile.

This reaction needs Sodium isopropoxide and Propan-2-ol by heating for 1 hour. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc2ccc(c1ccc(OCCCCCC)cc1)cc2
(2)InChI: InChI=1/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3
(3)InChIKey: YUYXUPYNSOFWFV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3
(5)Std. InChIKey: YUYXUPYNSOFWFV-UHFFFAOYSA-N

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.