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Name |
[1,1'-Biphenyl]-4-carbonitrile,4'-(bromomethyl)- |
EINECS | N/A |
CAS No. | 50670-51-4 | Density | 1.435 g/cm3 |
PSA | 23.79000 | LogP | 4.12018 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H10BrN | Boiling Point | 400.074 °C at 760 mmHg |
Molecular Weight | 272.144 | Flash Point | 195.758 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Bromomethylphenyl)benzonitrile;4'-(bromomethyl)biphenyl-4-carbonitrile;[1,1'-biphenyl]-4-carbonitrile, 4'-(bromomethyl)-;4’-(Bromomethyl)-[1,1’-biphenyl]-4-carbonitrile; |
Article Data | 9 |
The [1,1'-Biphenyl]-4-carbonitrile,4'-(bromomethyl)-, with the CAS registry number 50670-51-4, has the systematic name of 4'-(bromomethyl)biphenyl-4-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H10BrN.
The characteristics of [1,1'-Biphenyl]-4-carbonitrile,4'-(bromomethyl)- are as followings: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 640; (6)ACD/BCF (pH 7.4): 640; (7)ACD/KOC (pH 5.5): 3551; (8)ACD/KOC (pH 7.4): 3551; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 68.378 cm3; (15)Molar Volume: 189.619 cm3; (16)Polarizability: 27.107×10-24cm3; (17)Surface Tension: 54.926 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 195.758 °C; (20)Enthalpy of Vaporization: 65.089 kJ/mol; (21)Boiling Point: 400.074 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCc2ccc(c1ccc(C#N)cc1)cc2
(2)InChI: InChI=1/C14H10BrN/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9H2
(3)InChIKey: RGZWLQDGQDLMJX-UHFFFAOYAH