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70301-54-1

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Basic Information
CAS No.: 70301-54-1
Name: 3-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine
Molecular Structure:
Molecular Structure of 70301-54-1 (3-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine)
Formula: C19H20 N6 O S
Molecular Weight: 380.473
Density: 1.346g/cm3
Boiling Point: 640°C at 760 mmHg
Flash Point: 340.9°C
Safety: Poison by subcutaneous route. When heated to decomposition it emits very toxic fumes of SOx and NOx.
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Chemistry

IUPAC  Name: 3-(4-Methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine    
Molecular Formula: C19H20N6OS
Molecular Weight: 380.51 
Freely Rotating Bonds: 2
Polar Surface Area: 85.86 Å2
Index of Refraction: 1.661
Molar Refractivity: 104.54 cm3
Molar Volume: 282.5 cm3
Polarizability: 41.44 ×10-24 cm3
Surface Tension: 63.6 dyne/cm
Density: 1.346 g/cm3
Flash Point: 340.9 °C
Enthalpy of Vaporization: 94.5 kJ/mol
Boiling Point: 640 °C at 760 mmHg
Vapour Pressure: 2.82E-16 mmHg at 25°C 
The Cas Register Number of 10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine is 70301-54-1.The chemical synonyms of 10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine (CAS NO.70301-54-1) are 3-(4-Methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine and Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-2-(4-methyl-1-piperazinyl)-11-(2-thiazolyl)- . The molecular structure of 10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine (CAS NO.70301-54-1) is.

Uses

  10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine (CAS NO.70301-54-1) is used as organic intermediate.

Toxicity Data With Reference

1.    

scu-rat LD50:217 mg/kg

    PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 13 (1979),256.
2.    

scu-mus LD50:217 mg/kg

    PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 13 (1979),256.

Safety Profile

Poison by subcutaneous route. When heated to decomposition it emits very toxic fumes of SOx and NOx.