1H-Benzimidazole-2-carboxaldehyde,1-(phenylmethyl)- supplier

Name
1-BENZYL-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
EINECS
CAS No. 180000-91-3
Article Data8
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂N₂O
Boiling Point 450.8 °C at 760 mmHg
Molecular Weight 236.273
Flash Point 226.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(PHENYLMETHYL)-1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE;1-BENZYL-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE;1-BENZYL-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
PSA 34.89000
LogP 2.89710

1H-Benzimidazole-2-carboxaldehyde,1-(phenylmethyl)- Specification

This chemical is called 1H-Benzimidazole-2-carboxaldehyde,1-(phenylmethyl)-, and its systematic name is 1-Benzyl-1H-benzimidazole-2-carbaldehyde. With the molecular formula of C₁₅H₁₂N₂O, its molecular weight is 236.27. The CAS registry number of the chemical is 180000-91-3.

Other characteristics of 1H-Benzimidazole-2-carboxaldehyde,1-(phenylmethyl)- can be summarised as followings: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.89 Å²; (7)Index of Refraction: 1.632; (8)Molar Refractivity: 71.88 cm³; (9)Molar Volume: 201.3 cm³; (10)Polarizability: 28.49×10^-24cm³; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.17 g/cm³; (13)Flash Point: 226.4 °C; (14)Enthalpy of Vaporization: 70.97 kJ/mol; (15)Boiling Point: 450.8 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2nc1ccccc1n2Cc3ccccc3
2.InChI: InChI=1/C15H12N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
3.InChIKey: FLSACHQTKKDWED-UHFFFAOYAN
4.Std. InChI: InChI=1S/C15H12N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
5.Std. InChIKey: FLSACHQTKKDWED-UHFFFAOYSA-N

Product Name

1-BENZYL-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE

1H-Benzimidazole-2-carboxaldehyde,1-(phenylmethyl)- Specification

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