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116-80-3

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Basic Information
CAS No.: 116-80-3
Name: N-(5-chloro-4-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
Molecular Structure:
Molecular Structure of 116-80-3 (N-(5-chloro-4-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide)
Formula: C22H14 Cl N O4
Molecular Weight: 391.81
Synonyms: Anthraquinone,1-benzamido-5-chloro-4-methoxy- (8CI); 1-Benzamido-5-chloro-4-methoxyanthraquinone
Density: 1.43g/cm3
Boiling Point: 535.9°Cat760mmHg
Flash Point: 277.9°C
Safety: A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 72.47000
LogP: 4.44930
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Chemistry

IUPAC Name: N-(5-chloro-4-methoxy-9,10-dioxoanthracen-1-yl)benzamide
Synonyms of N-(5-Chloro-4-methoxyanthraquinonyl) benzamide (CAS NO.116-80-3): 1-Benzoylamino-4-methoxy-5-chloranthrachinon ; 1-Benzoylamino-4-methoxy-5-chloranthrachinon [Czech] ; 1-Benzoylamino-5-chlor-4-methoxyanthrachinon ; 1-Benzoylamino-5-chlor-4-methoxyanthrachinon [Czech] ; 2-14-00-00172 (Beilstein Handbook Reference) ; BRN 2783838 ; Benzamide, N-(5-chloro-4-methoxyanthraquinonyl)-
CAS NO: 116-80-3 
Molecular Formula of N-(5-Chloro-4-methoxyanthraquinonyl) benzamide (CAS NO.116-80-3): C22H14ClNO4
Molecular Weight: 391.8039 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 63.68 Å2
Index of Refraction: 1.691
Molar Refractivity: 104.81 cm3
Molar Volume: 273.8 cm3
Surface Tension: 64.4 dyne/cm
Density of N-(5-Chloro-4-methoxyanthraquinonyl) benzamide (CAS NO.116-80-3): 1.43 g/cm3
Flash Point: 277.9 °C
Enthalpy of Vaporization: 81.25 kJ/mol
Boiling Point: 535.9 °C at 760 mmHg
Vapour Pressure: 1.47E-11 mmHg at 25°C
Molecular Structure:

Toxicity Data With Reference

1.    

eye-rbt 500 mg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,90.

Safety Profile

A severe eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx.