4,4'-Dibromobiphenyl

Details:

1.Introduction of 92-86-4

4,4'-Dibromobiphenyl is the systematic name of this kind of substance, its CAS registry number is 92-86-4. It has synonyms of 1,1’-(biphenyl,4,4’-dibromo-; 1,1’-biphenyl,,4’-dibromo-(4,4’-bromobiphenyl); 1,1’-biphenyl,,4’-dibromo-(4,4’-dibromobiphenyl); 1,1’-biphenyl,4,4’-dibromo-; 4,4’-dibromo-1’-biphenyl; 4,4'-dibromo-1,1'-biphenyl; biphenyl, 4,4'-dibromo-; p,p'-dibromobiphenyl.
 

2.Properties of 92-86-4

ACD/LogP: 5.786
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.79
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 5.5): 14706.23
ACD/BCF (pH 7.4): 14706.23
ACD/KOC (pH 5.5): 33472.29
ACD/KOC (pH 7.4): 33472.29
#Freely Rotating Bonds: 1
Index of Refraction: 1.626
Molar Refractivity: 66.225 cm³
Molar Volume: 187.088 cm³
Polarizability: 26.254 10-24cm³
Surface Tension: 43.9189987182617 dyne/cm
Density: 1.668 g/cm³
Flash Point: 198.347 °C
Enthalpy of Vaporization: 57.922 kJ/mol
Boiling Point: 357.593 °C at 760 mmHg

3.Structure Descriptors of 92-86-4

(1)InChI: InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
(2)InChIKey: HQJQYILBCQPYBI-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br

4.Safety Information of 92-86-4

Hazard Codes: Xi,Xn,N
Risk Statements: 36/37/38-37/38-36-40-50/53-41-22
Safety Statements: 37/39-26-37-36/37-61-60-39
RIDADR: 3152
WGK Germany: 1
HazardClass: 9
PackingGroup: II
HS Code: 29036990 4,4'-Dibromobiphenyl