CAS No.5418-95-1,2-GUANIDINOBENZIMIDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5418-95-1
Name:	2-GUANIDINOBENZIMIDAZOLE
Article Data:	18

Formula:	C₈H₉N₅
Molecular Weight:	175.193
Synonyms:	1-(1H-Benzimidazol-2-yl)guanidine;N-(1H-Benzo[d]imidazol-2-yl)guanidine;
EINECS:	226-527-8
Density:	1.56 g/cm³
Melting Point:	242-244 °C
Boiling Point:	461.6 °C at 760 mmHg
Flash Point:	233 °C
Appearance:	BROWN-PURPLE FINE CRYSTALLINE POWDER
PSA:	90.58000
LogP:	1.74130

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Specification

The Guanidine,N-1H-benzimidazol-2-yl-, with the CAS registry number 5418-95-1, is also known as 1-(1H-Benzimidazol-2-yl)guanidine and N-(1H-Benzo[d]imidazol-2-yl)guanidine. It belongs to the product categories of Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 226-527-8. This chemical's molecular formula is C₈H₉N₅ and molecular weight is 175.1906. What's more, both its IUPAC name and systematic name are the same which is called 2-(1H-Benzimidazol-2-yl)guanidine.

Physical properties about this chemical are: (1)ACD/LogP: 0.75; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 13.21; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.66Å²; (13)Index of Refraction: 1.787; (14)Molar Refractivity: 47.3 cm³; (15)Molar Volume: 111.9 cm³; (16)Surface Tension: 72.8 dyne/cm; (17)Density: 1.56 g/cm³; (18)Flash Point: 233 °C; (19)Enthalpy of Vaporization: 72.25 kJ/mol; (20)Boiling Point: 461.6 °C at 760 mmHg; (21)Vapour Pressure: 1.05E-08 mmHg at 25 °C; (22)Melting Point: 242-244 °C.

Uses of Guanidine,N-1H-benzimidazol-2-yl-: it is used to produce other chemicals. For example, it is used to produce 4-Thiophen-2-yl-3,4-dihydro-benzo[4,5]imidazo[1,2-a][1,3,5]triazin-2-ylamine.

The reaction occurs with solvent Dimethylformamide and other condition of heating for 2 hours. The yield is 77%.

You can still convert the following datas into molecular structure:
(1) SMILES: N(/c2nc1ccccc1n2)=C(/N)N
(2) InChI: InChI=1/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
(3) InChIKey: JJWCTKUQWXYIIU-UHFFFAOYAT