3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- supplier

Name
1,4-BENZODIAZEPIN-3-ONE
EINECS
CAS No. 168080-43-1
Article Data7
CAS DataBase
Density 1.138g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O
Boiling Point 436.693 °C at 760 mmHg
Molecular Weight 162.191
Flash Point 210.395 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-3-one;
PSA 41.13000
LogP 1.19510

3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- Specification

The 3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- is an organic compound with the formula C₉H₁₀N₂O. The systematic name of this chemical is 1,2,4,5-Tetrahydro-3H-1,4-benzodiazepin-3-one. With the CAS registry number 168080-43-1, it is also named as 1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one. The product's categories are Aromatics Compounds; Aromatics; Heterocycles. Besides, its molecular weight is 162.19.

Physical properties about 3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- are: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12; (5)ACD/KOC (pH 7.4): 12; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)Polar Surface Area: 41.13 Å²; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 45.254 cm³; (11)Molar Volume: 142.565 cm³; (12)Polarizability: 17.94×10^-24 cm³; (13)Surface Tension: 38.106 dyne/cm; (14)Density: 1.138 g/cm³; (15)Flash Point: 210.395 °C; (16)Enthalpy of Vaporization: 69.319 kJ/mol; (17)Boiling Point: 436.693 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H10N2O/c12-9-6-10-8-4-2-1-3-7(8)5-11-9/h1-4,10H,5-6H2,(H,11,12)
(2)InChIKey: YDCUQJVYYWANPZ-UHFFFAOYAB
(3)Std. InChI: InChI=1S/C9H10N2O/c12-9-6-10-8-4-2-1-3-7(8)5-11-9/h1-4,10H,5-6H2,(H,11,12)
(4)Std. InChIKey: YDCUQJVYYWANPZ-UHFFFAOYSA-N

Product Name

1,4-BENZODIAZEPIN-3-ONE

3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- Specification

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