1H-1,4-Benzodiazepine,8-fluoro-2,3,4,5-tetrahydro- supplier

Name
8-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
EINECS
CAS No. 620948-83-6
Article Data4
CAS DataBase
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₉H₁₁FN₂
Boiling Point 271.516 °C at 760 mmHg
Molecular Weight 166.198
Flash Point 118.009 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;
PSA 24.06000
LogP 1.80760

1H-1,4-Benzodiazepine,8-fluoro-2,3,4,5-tetrahydro- Specification

The 1H-1, 4-Benzodiazepine, 8-fluoro-2, 3, 4, 5-tetrahydro-, with the CAS registry number of 620948-83-6, is also known as 8-Fluoro-2, 3, 4, 5-tetrahydro-1H-benzo[E][1, 4]diazepine. This chemical's molecular formula is C₉H₁₁FN₂ and molecular weight is 166.1954. What's more, its IUPAC name is 8-Fluoro-2, 3, 4, 5-tetrahydro-1H-1, 4-benzodiazepine.

Physical properties about 1H-1, 4-Benzodiazepine, 8-fluoro-2, 3, 4, 5-tetrahydro- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 24.06 Å²; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 45.117 cm³; (14)Molar Volume: 150.277 cm³; (15)Polarizability: 17.886×10^-24 cm³; (16)Surface Tension: 35.282 dyne/cm; (17)Density: 1.106 g/cm³; (18)Flash Point: 118.009 °C; (19)Enthalpy of Vaporization: 50.975 kJ/mol; (20)Boiling Point: 271.516 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2NCCNCc2cc1
(2) InChI: InChI=1/C9H11FN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11-12H,3-4,6H2
(3) InChIKey: CDJVOUWLXJCIHK-UHFFFAOYAO

Product Name

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

1H-1,4-Benzodiazepine,8-fluoro-2,3,4,5-tetrahydro- Specification

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