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58442-17-4

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Basic Information
CAS No.: 58442-17-4
Name: 1H-BENZIMIDAZOLE-5-CARBOXALDEHYDE 97+%
Article Data: 2
Molecular Structure:
Molecular Structure of 58442-17-4 (1H-BENZIMIDAZOLE-5-CARBOXALDEHYDE 97+%)
Formula: C8H6 N2 O
Molecular Weight: 146.148
Synonyms: 1H-Benzimidazole-5-carboxaldehyde(9CI); Benzimidazole-6-carboxaldehyde
Density: 1.368g/cm3
Melting Point: 158.5-161
Boiling Point: 448°Cat760mmHg
Flash Point: 224.7°C
PSA: 45.75000
LogP: 1.37540
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Chemistry

IUPAC Name: 3H-Benzimidazole-5-carbaldehyde 
Following is the structure of 1H-Benzimidazole-5-carbaldehyde (CAS NO.58442-17-4):
                            
Empirical Formula: C8H6N2O
Molecular Weight: 146.146 g/mol
Molar Refractivity: 43.373 cm3
Molar Volume: 106.761 cm3
Density: 1.369 g/cm3
Flash Point: 224.699 °C
Melting point: 158.5-161 °C
Index of Refraction: 1.747
Surface Tension: 71.011 dyne/cm
Enthalpy of Vaporization: 70.648 kJ/mol
Boiling Point of 1H-Benzimidazole-5-carbaldehyde (CAS NO.58442-17-4): 448.037 °C at 760 mmHg
Product Categories of 1H-Benzimidazole-5-carbaldehyde (CAS NO.58442-17-4): ALDEHYDE; BENZIMIDAZOLE; pharmacetical; Heterocycles series; Aldehydes; Imidazoles & Benzimidazoles
Canonical SMILES: C1=CC2=C(C=C1C=O)NC=N2
InChI: InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)
InChIKey: ALCHVVTYAHQOFY-UHFFFAOYSA-N

Safety Profile

Hazard Note: Harmful

Specification

 1H-Benzimidazole-5-carbaldehyde , its cas register number is 58442-17-4. It also can be called 3H-benzoimidazole-5-carbaldehyde .