CAS No.38690-77-6,4-CYANOPHENYL 4-N-BUTYLBENZOATE Suppliers

Products Categories

Pharmaceutical (10)
Organic Chemicals (7)
Others (5)
Materials (2)
Basic Inorganic Chemicals (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	38690-77-6
Name:	4-CYANOPHENYL 4-N-BUTYLBENZOATE

Formula:	C₁₈H₁₇NO₂
Molecular Weight:	279.338
Synonyms:	Benzoic acid, 4-butyl-,4-cyanophenyl ester;4-Cyanophenyl 4'-butylbenzoate;4'-Cyanophenyl 4-butylbenzoate;p-Cyanophenyl p-butylbenzoate;p-Cyanophenyl p-n-butylbenzoate;p-Cyanophenyl p'-butylbenzoate;p'-Cyanophenyl p-butylbenzoate;
EINECS:	254-085-6
Density:	1.14 g/cm³
Melting Point:	67-69 °C(lit.)
Boiling Point:	441.9 °C at 760 mmHg
Flash Point:	218.8 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
Transport Information:	UN 3439 6.1/PG 3
PSA:	50.09000
LogP:	4.12008

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:26 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 38690-77-6

Specification

This product is an organic compound with the formula C₁₈H₁₇NO₂. The systematic name of this chemical is 4-Cyanophenyl 4-butylbenzoate. Its EINECS number is 254-085-6. With the CAS registry number 38690-77-6, it is also named as Benzoic acid, 4-butyl-,4-cyanophenyl ester. In addition, the molecular weight is 279.33. It should be sealed and stored in a cool and dry place. This chemical is harmful by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing. It is used as intermediates of liquid crystals.

Physical properties of 4-Cyanophenyl 4-butylbenzoate are: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.43; (4)ACD/LogD (pH 7.4): 5.43; (5)ACD/BCF (pH 5.5): 7854.7; (6)ACD/BCF (pH 7.4): 7854.7; (7)ACD/KOC (pH 5.5): 21366.05; (8)ACD/KOC (pH 7.4): 21366.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 81.03 cm³; (15)Molar Volume: 244.5 cm³; (16)Polarizability: 32.12×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 218.8 °C; (20)Enthalpy of Vaporization: 69.92 kJ/mol; (21)Boiling Point: 441.9 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(C#N)cc1)c2ccc(cc2)CCCC
(2)Std. InChI: InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
(3)Std. InChIKey: XQRFASOUJIKXRE-UHFFFAOYSA-N