5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one supplier

Name
5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one
EINECS 259-728-4
CAS No. 55621-49-3
Density 1.47g/cm³
Solubility
Melting Point >3000 °C
Formula C₇H₈N₄O
Boiling Point 258.6 °C at 760 mmHg
Molecular Weight 164.167
Flash Point 110.2 °C
Transport Information
Appearance Brown Solid
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Benzimidazolinone,5,6-diamino- (6CI);5,6-Diamino-2(3H)-benzimidazolone;5,6-Diamino-2-benzimidazolone;5,6-Diaminobenzimidazolone;
PSA 100.69000
LogP 1.18300

5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one Specification

The CAS register number of 5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one is 55621-49-3. It also can be called as 5,6-Diamino-2-benzimidazolone. The molecular formula about this chemical is C₇H₈N₄O and the molecular weight is 164.16. It belongs to the following product categories which include Benzimidazole Series; Aldehyde Labeling Reagents; Aromatics; pigment intermediate and so on.

Physical properties about 5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.08; (6)ACD/KOC (pH 7.4): 8.91; (7)#H bond acceptors: 5; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 30.03 Å²; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 44.5 cm³; (13)Molar Volume: 111.6 cm³; (14)Polarizability: 17.64x10^-24cm³; (15)Surface Tension: 76.2 dyne/cm; (16)Density: 1.47 g/cm³; (17)Flash Point: 110.2 °C; (18)Enthalpy of Vaporization: 49.62 kJ/mol; (19)Boiling Point: 258.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0136 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1cc(c(cc1N2)N)N
(2)InChI: InChI=1/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)
(3)InChIKey: BRISYWKBJNSDPL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H8N4O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,8-9H2,(H2,10,11,12)
(5)Std. InChIKey: BRISYWKBJNSDPL-UHFFFAOYSA-N

Product Name

5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one

5,6-Diamino-1,3-dihydro-2H-benzoimidazol-2-one Specification

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