[1,1'-Biphenyl]-4-propanenitrile,b-oxo- supplier

Name
3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile
EINECS
CAS No. 78443-35-3
Article Data16
CAS DataBase
Density 1.128 g/cm³
Solubility
Melting Point 116-118 °C
Formula C₁₅H₁₁NO
Boiling Point 418.129 °C at 760 mmHg
Molecular Weight 221.258
Flash Point 206.677 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Phenylbenzoyl)acetonitrile;3-(1,1'-Biphenyl-4-yl)-3-oxopropanenitrile;3-(Biphenyl-4-yl)-3-oxopropanenitrile;
PSA 40.86000
LogP 3.44998

[1,1'-Biphenyl]-4-propanenitrile,b-oxo- Specification

This chemical is called [1,1'-Biphenyl]-4-propanenitrile,b-oxo-, and it can also be named as (4-Phenylbenzoyl)acetonitrile. The molecular formula of this chemical is C₁₅H₁₁NO. The CAS registry number of this chemical is 78443-35-3, and its systematic name is 3-(Biphenyl-4-yl)-3-oxopropanenitrile.

Other characteristics of the [1,1'-Biphenyl]-4-propanenitrile,b-oxo- can be summarised as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 81; (6)ACD/BCF (pH 7.4): 57; (7)ACD/KOC (pH 5.5): 807; (8)ACD/KOC (pH 7.4): 566; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 65.419 cm³; (15)Molar Volume: 196.138 cm³; (16)Polarizability: 25.934×10^-24cm³; (17)Surface Tension: 47.124 dyne/cm; (18)Density: 1.128 g/cm³; (19)Flash Point: 206.677 °C; (20)Enthalpy of Vaporization: 67.163 kJ/mol; (21)Boiling Point: 418.129 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES:N#CCC(=O)c1ccc(cc1)c2ccccc2
2.InChI: InChI=1/C15H11NO/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10H2
3.InChIKey: BZAJCNCPXHAXBZ-UHFFFAOYAP

Product Name

3-[1,1'-biphenyl]-4-yl-3-oxopropanenitrile

[1,1'-Biphenyl]-4-propanenitrile,b-oxo- Specification

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