1H-Benzimidazole,6-fluoro- supplier

Name
5-FLUORO-1H-BENZIMIDAZOLE
EINECS
CAS No. 1977-72-6
Article Data2
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 132 °C
Formula C₇H₅FN₂
Boiling Point 363.8 °C at 760 mmHg
Molecular Weight 136.129
Flash Point 173.8 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Benzimidazole,5-fluoro- (9CI);Benzimidazole, 5(or 6)-fluoro- (6CI,7CI);Benzimidazole,5-fluoro- (8CI);5-Fluoro-1H-benzimidazole;5-Fluorobenzimidazole;NSC 37361;
PSA 28.68000
LogP 1.70200

1H-Benzimidazole,6-fluoro- Specification

The 1H-Benzimidazole,6-fluoro-, with the CAS registry number 1977-72-6, is also known as 5-Fluorobenzimidazole. It belongs to the product categories of Benzimidazole; Pharmacetical; Imidazol & Benzimidazole. This chemical's molecular formula is C₇H₅FN₂ and molecular weight is 136.13. What's more, both its IUPAC name and systematic name are the same which is called 6-Fluoro-1H-benzimidazole. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Benzimidazole,6-fluoro- are: (1) ACD/LogP: 1.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.8; (4) ACD/LogD (pH 7.4): 1.42; (5) ACD/BCF (pH 5.5): 1.67; (6) ACD/BCF (pH 7.4): 6.98; (7) ACD/KOC (pH 5.5): 33.12; (8) ACD/KOC (pH 7.4): 138.15; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 17.82 Å²; (13) Index of Refraction: 1.658; (14) Molar Refractivity: 36.61 cm³; (15) Molar Volume: 99.3 cm³; (16) Surface Tension: 56.2 dyne/cm; (17) Density: 1.37 g/cm³; (18) Flash Point: 173.8 °C; (19) Enthalpy of Vaporization: 58.59 kJ/mol; (20) Boiling Point: 363.8 °C at 760 mmHg; (21) Vapour Pressure: 3.68E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2ncnc2c1
(2) InChI: InChI=1/C7H5FN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
(3) InChIKey: ZDSUKNAKOLBIPX-UHFFFAOYAE

Product Name

5-FLUORO-1H-BENZIMIDAZOLE

1H-Benzimidazole,6-fluoro- Specification

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