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67210-66-6

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Basic Information
CAS No.: 67210-66-6
Name: [diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl)]ammonium hydrogen sulphate
Molecular Structure:
Molecular Structure of 67210-66-6 ([diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl)]ammonium hydrogen sulphate)
Formula: C14H17NO2•H2O4S
Molecular Weight: 329.40
Density: g/cm3
Boiling Point: 391.7°Cat760mmHg
Flash Point: 152°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SOx and NOx.
PSA: 116.43000
LogP: 3.37560
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    67210-66-6

    7-DIETHYLAMINO-4-METHYLCOUMARIN, HYDROGEN SULFATE

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    7-DIETHYLAMINO-4-METHYLCOUMARIN, HYDROGEN SULFATE

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    7-DIETHYLAMINO-4-METHYLCOUMARIN, HYDROGEN SULFATE

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  • diethyl-(4-methyl-2-oxochromen-7-yl)azanium; hydrogen sulfate

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    diethyl-(4-methyl-2-oxochromen-7-yl)azanium; hydrogen sulfate

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  • diethyl-(4-methyl-2-oxochromen-7-yl)azanium,hydrogen sulfate

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    diethyl-(4-methyl-2-oxochromen-7-yl)azanium,hydrogen sulfate

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Chemistry

The Molecular Structure of  7-(Diethylamino)-4-methylcoumarin sulfate (CAS NO.67210-66-6):

Molecular Formula: C14H19NO6S
Molecular Weight: 329.368760 g/mol
Flash Point: 152 °C
Enthalpy of Vaporization: 64.13 kJ/mol
Boiling Point: 391.7 °C at 760 mmHg
Vapour Pressure: 2.43E-06 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent
InChI
InChI=1/C14H17NO2.H2O4S/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;1-5(2,3)4/h6-9H,4-5H2,1-3H3;(H2,1,2,3,4)
Smiles
c12c(ccc([N+](CC)CC)c1)c(cc(o2)=O)C.S(O)(=O)(=O)[O-] 
The IUPAC of 7-(Diethylamino)-4-methylcoumarin sulfate (CAS NO.67210-66-6) is diethyl-(4-methyl-2-oxochromen-7-yl)azanium; hydrogen sulfate .

Toxicity Data With Reference

1.    

orl-rat LD50:1600 mg/kg

     MarJV#    Personal Communication from Josef V. Marhold, VUOS, 539-18, Pardubice, Czechoslovakia, to the Editor of RTECS, Cincinnati, OH, March 29, 1977 29MAR77 .
2.    

orl-mus LD50:1780 mg/kg

     ESKHA5    Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences.(104),(1986),45.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SOx and NOx.

Specification

 7-(Diethylamino)-4-methylcoumarin sulfate (CAS NO.67210-66-6) is also called as 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-, sulfate (1:1) ; 4-Methyl-7-(diethylamino)coumarin, hydrosulfate ; 4-Methyl-7-diethylaminocoumarin, hydrogensulfate ; 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one sulfate (1:1) ; 7-Diethylamino-4-methylcoumarin sulfuric acid salt ; Coumarin, 7-(diethylamino)-4-methyl-, sulfate (1:1) ; Diethyl-4-methyl-7-coumarinylammonium hydrogen sulfate ; EINECS 266-604-3 ; (Diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl))ammonium hydrogen sulphate ; 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-, sulfate (1:1) ; Coumarin, 7-diethylamino-4-methyl-, hydrogen sulfate .