1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone supplier

Name
2-(DIBROMOACETYL BENZIMIDAZOLE HYDRO BROMIC ACID SALT
EINECS
CAS No. 56653-42-0
Density 2.073 g/cm³
Solubility
Melting Point 171-173 °C
Formula C₉H₆Br₂N₂O
Boiling Point 399.3 °C at 760 mmHg
Molecular Weight 317.96
Flash Point 195.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(1H-benzimidazol-2-yl)-2,2-dibromo-Ethanone;
PSA 45.75000
LogP 3.81960

1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone 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

Product Name

2-(DIBROMOACETYL BENZIMIDAZOLE HYDRO BROMIC ACID SALT

1-(1H-Benzimidazol-2-yl)-2,2-dibromoethanone Specification

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