7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-methanamine supplier

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Name
Midazolam
EINECS 261-774-5
CAS No. 59467-64-0
Article Data3
CAS DataBase
Density 1.362 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₅ClFN₃
Boiling Point 443.9 °C at 760 mmHg
Molecular Weight 303.767
Flash Point 222.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,4-Benzodiazepine-2-methanamine,7-chloro-5-(2-fluorophenyl)-2,3-dihydro-;1-[7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine;
PSA 30.18000
LogP 3.75980

7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-methanamine Specification

The 7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-methanamine, with the CAS registry number 59467-64-0, is also known as 1H-1,4-Benzodiazepine-2-methanamine,7-chloro-5-(2-fluorophenyl)-2,3-dihydro-. This chemical's molecular formula is C₁₆H₁₅ClFN₃ and molecular weight is 303.76. What's more, its systematic name is 1-[7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine. It is an intermediate for the synthesis of Midazolam.

Physical properties of 7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-methanamine are:
(1)ACD/LogP: 2.648; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 4.26; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.41 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 81.13 cm³; (15)Molar Volume: 223.062 cm³; (16)Polarizability: 32.162×10^-24cm³; (17)Surface Tension: 46.80 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 222.263 °C; (20)Enthalpy of Vaporization: 70.162 kJ/mol; (21)Boiling Point: 443.9 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3ccccc3C\2=N\CC(CN)Nc1ccc(Cl)cc1/2
(2)Std. InChI: InChI=1S/C16H15ClFN3/c17-10-5-6-15-13(7-10)16(20-9-11(8-19)21-15)12-3-1-2-4-14(12)18/h1-7,11,21H,8-9,19H2
(3)Std. InChIKey: LSQOUBKWMBDIPL-UHFFFAOYSA-N

Product Name

Midazolam

7-Chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-methanamine Specification

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