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63991-49-1

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Basic Information
CAS No.: 63991-49-1
Name: 2-(4-aminophenyl)-6-ammonio-1H-3,1-benzimidazol-3-ium dichloride
Molecular Structure:
Molecular Structure of 63991-49-1 (2-(4-aminophenyl)-6-ammonio-1H-3,1-benzimidazol-3-ium dichloride)
Formula: C13H12 N4 . 2 Cl H
Molecular Weight: 297.21
Synonyms: 1H-Benzimidazol-5-amine,2-(4-aminophenyl)-, dihydrochloride (9CI)
Density: g/cm3
Boiling Point: 545.5°Cat760mmHg
Flash Point: 317.6°C
Safety: Moderately toxic by ingestion. Moderate skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also AROMATIC AMINES.
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  • [2-(4-aminophenyl)-3H-benzimidazol-1-ium-5-yl]azanium dichloride

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  • 1H-Benzimidazol-6-amine,2-(4-aminophenyl)-, hydrochloride (1:2)

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    63991-49-1

    1H-Benzimidazol-6-amine,2-(4-aminophenyl)-, hydrochloride (1:2)

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Chemistry

IUPAC Name: [2-(4-aminophenyl)-3H-benzimidazol-1-ium-5-yl]azanium dichloride 
Empirical Formula: C13H14Cl2N4
Molecular Weight: 297.1831g/mol
Structure of  6-Amino-2-(4'-aminophenyl)benzimidazole dihydrochloride (CAS NO.63991-49-1):

Flash Point: 317.6 °C
Enthalpy of Vaporization: 82.44 kJ/mol
Boiling Point: 545.5 °C at 760 mmHg
Vapour Pressure: 5.88E-12 mmHg at 25°C 
Canonical SMILES: C1=CC(=CC=C1C2=[NH+]C3=C(N2)C=C(C=C3)[NH3+])N.[Cl-].[Cl-]
InChI: InChI=1S/C13H12N4.2ClH/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13;;/h1-7H,14-15H2,(H,16,17);2*1H
InChIKey: IIDNOBSCGOSOGL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,145.
2.    

eye-rbt 20 mg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,145.
3.    

orl-rat LD50:2060 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,145.

Safety Profile

Moderately toxic by ingestion. Moderate skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also AROMATIC AMINES.

Specification

  6-Amino-2-(4'-aminophenyl)benzimidazole dihydrochloride , its cas register number is 63991-49-1. It also can be called 6-Amino-2-(4'-aminofenyl)benzimidazol hydrochlorid ; 6-Amino-2-(p-aminofenyl)benzimidazol dichlorid . 6-Amino-2-(4'-aminophenyl)benzimidazole dihydrochloride (CAS NO.63991-49-1) will cause a severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.