1H-1,4-Benzodiazepine,7-fluoro-2,3,4,5-tetrahydro- supplier

Name
7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
EINECS
CAS No. 886366-21-8
Density 1.105 g/cm³
Solubility
Melting Point
Formula C₉H₁₁FN₂
Boiling Point 286.7 °C at 760 mmHg
Molecular Weight 166.20
Flash Point 127.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,4-Benzodiazepine, 7-fluoro-2,3,4,5-tetrahydro-;7-Fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
PSA 24.06000
LogP 1.80760

1H-1,4-Benzodiazepine,7-fluoro-2,3,4,5-tetrahydro- Specification

This chemical is called 1H-1,4-Benzodiazepine, 7-fluoro-2,3,4,5-tetrahydro-, and it can also be named as 7-Fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine. With the molecular formula of C₉H₁₁FN₂, its molecular weight is 166.20. The CAS registry number of this chemical is 886366-21-8.

Other characteristics of the 1H-1,4-Benzodiazepine, 7-fluoro-2,3,4,5-tetrahydro- can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 7.4): 0.26 ; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 24.06 Å²; (8)Index of Refraction: 1.512; (9)Molar Refractivity: 45.11 cm³; (10)Molar Volume: 150.2 cm³; (11)Polarizability: 17.88×10^-24cm³; (12)Surface Tension: 35.2 dyne/cm; (13)Density: 1.105 g/cm³; (14)Flash Point: 127.2 °C; (15)Enthalpy of Vaporization: 52.58 kJ/mol; (16)Boiling Point: 286.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0026 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc2NCCNCc2c1
2.InChI: InChI=1/C9H11FN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
3.InChIKey: NNXGSKKLUSOLHT-UHFFFAOYAQ

Product Name

7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

1H-1,4-Benzodiazepine,7-fluoro-2,3,4,5-tetrahydro- Specification

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