Home >> Chemicals Listing >> hot product list by 1  

1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone (56653-42-0)

Identification
Name:1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone
Synonyms:1-(1H-benzimidazol-2-yl)-2,2-dibromo-Ethanone;
CAS:56653-42-0
Molecular Formula: C9H6Br2N2O
Molecular Weight: 317.96
InChI: InChI=1/C9H6Br2N2O/c10-8(11)7(14)9-12-5-3-1-2-4-6(5)13-9/h1-4,8H,(H,12,13)
Molecular Structure: (C9H6Br2N2O) 1-(1H-benzimidazol-2-yl)-2,2-dibromo-Ethanone;
Properties
Flash Point: 195.3°C
Boiling Point: 399.3°C at 760 mmHg
Density:2.073
Refractive index:1.743
Specification:

This chemical is called 1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone, and it can also be named as 2-(Dibromoacetyl benzimidazole hydro bromic acid salt. With the molecular formula of C9H6Br2N2O, its molecular weight is 317.96. The CAS registry number of this chemical is 56653-42-0.

Other characteristics of the 1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone can be summarised as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 45.75 Å2; (9)Index of Refraction: 1.743; (10)Molar Refractivity: 62.07 cm3; (11)Molar Volume: 153.3 cm3; (12)Polarizability: 24.6×10-24cm3; (13)Surface Tension: 75.2 dyne/cm; (14)Density: 2.073 g/cm3; (15)Flash Point: 195.3 °C; (16)Enthalpy of Vaporization: 65 kJ/mol; (17)Boiling Point: 399.3 °C at 760 mmHg; (18)Vapour Pressure: 1.38E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1ccc2c(c1)[nH]c(n2)C(=O)C(Br)Br
(2)InChI: InChI=1/C9H6Br2N2O/c10-8(11)7(14)9-12-5-3-1-2-4-6(5)13-9/h1-4,8H,(H,12,13)
(3)InChIKey: CEVWXGUTNVKVJI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H6Br2N2O/c10-8(11)7(14)9-12-5-3-1-2-4-6(5)13-9/h1-4,8H,(H,12,13)
(5)Std. InChIKey: CEVWXGUTNVKVJI-UHFFFAOYSA-N

Flash Point: 195.3°C
Safety Data
 

Other Product