1H-Benzimidazole-2-carboxaldehyde supplier

Name
1H-Benzimidazole-2-carboxaldehyde
EINECS 222-004-3
CAS No. 3314-30-5
Article Data33
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point 224 °C
Formula C₈H₆N₂O
Boiling Point 361.771 °C at 760 mmHg
Molecular Weight 146.148
Flash Point 176.353 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Benzimidazolecarboxaldehyde(6CI,7CI,8CI);2-Benzimidazolylformaldehyde;2-Formylbenzimidazole;Benzimidazole-2-carbaldehyde;NSC 26309;NSC 405912;
PSA 45.75000
LogP 1.37540

1H-Benzimidazole-2-carboxaldehyde Specification

1H-Benzimidazole-2-carboxaldehyde is an organic compound with the formula C₈H₆N₂O, and its systematic name is the same with the product name. With the CAS registry number 3314-30-5, it is also named as Benzimidazole-2-carbaldehyde. It belongs to the product categories of Benzimidazole; Aldehydes; Imidazoles & Benzimidazoles; Imidazol & Benzimidazole; Imidazoles & Benzimidazoles. Its EINECS number is 222-004-3. In addition, the molecular weight is 146.15.

Physical properties of 1H-Benzimidazole-2-carboxaldehyde are: (1)ACD/LogP: 1.362; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.28; (6)ACD/BCF (pH 7.4): 6.38; (7)ACD/KOC (pH 5.5): 129.01; (8)ACD/KOC (pH 7.4): 131.07; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.373 cm³; (15)Molar Volume: 106.761 cm³; (16)Polarizability: 17.194×10^-24cm³; (17)Surface Tension: 71.01 dyne/cm; (18)Density: 1.369 g/cm³; (19)Flash Point: 176.353 °C; (20)Enthalpy of Vaporization: 60.764 kJ/mol; (21)Boiling Point: 361.771 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2nc1ccccc1n2
(2)Std. InChI: InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)
(3)Std. InChIKey: DQOSJWYZDQIMGM-UHFFFAOYSA-N

Product Name

1H-Benzimidazole-2-carboxaldehyde

1H-Benzimidazole-2-carboxaldehyde Specification

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