CAS No.548-00-5,Ethyl Biscoumacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	548-00-5
Name:	Ethyl Biscoumacetate

Formula:	C₂₂H₁₆O₈
Molecular Weight:	408.364
Synonyms:	Pelentan;Bisoxycumarin-essigsaeureethylester;Neodicoumarol;Trombolysan;Ethylbiscoumacetat;Trombil;Neodicumarinum;Neodicumarol;Ethylbiscum-acetat;ETHYL BISCOUMACETATE;Neodicoumarin;Trombarin;Tromexan;
Density:	1.542g/cm³
Melting Point:	177-182° and mp 154-157°
Boiling Point:	666.624°C at 760 mmHg
Flash Point:	238.093°C
Solubility:	54.31mg/L(temperature not stated)
Safety:	Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Human reproductive effects by ingestion: developmental abnormalities of the cardiovascular system, stillbirth, and unspecified neonatal effects. An anticoagulant. See also WARFARIN and ESTERS. When heated to decomposition it emits acrid and irritating fumes.
PSA:	127.18000
LogP:	3.00560

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Chemistry

Product Name: Ethyl biscoumacetate (CAS NO.548-00-5)

Molecular Formula: C₂₂H₁₆O₈
Molecular Weight: 408.38g/mol
Mol File: 548-00-5.mol
Boiling point: 666.6 °C at 760 mmHg
Flash Point: 238.1 °C
Density: 1.542 g/cm³
Surface Tension: 77 dyne/cm
Enthalpy of Vaporization: 102.96 kJ/mol
Vapour Pressure: 1.11E-18 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 2
H-Bond Acceptor: 8
IUPAC Name: ethyl 2,2-bis(2-hydroxy-4-oxochromen-3-yl)acetate
Canonical SMILES: CCOC(=O)C(C1=C(OC2=CC=CC=C2C1=O)O)C3=C(OC4=CC=CC=C4C3=O)O
InChI: InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)
26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,26-27H,2H2,1H3
InChIKey: SEGSDVUVOWIWFX-UHFFFAOYSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	260mg/kg (260mg/kg)		Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 303, 1951.
mouse	LD50	oral	750mg/kg (750mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
mouse	LD50	subcutaneous	750mg/kg (750mg/kg)		Lancet. Vol. 2, Pg. 611, 1951.
rabbit	LD50	intraperitoneal	170mg/kg (170mg/kg)		Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 303, 1951.
rabbit	LD50	oral	1gm/kg (1000mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
rat	LD50	intraperitoneal	260mg/kg (260mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) CARDIAC: CHANGE IN FORCE OF CONTRACTION LUNGS, THORAX, OR RESPIRATION: CYANOSIS	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 87, Pg. 402, 1951.
rat	LD50	oral	840mg/kg (840mg/kg)		Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 303, 1951.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. An experimental teratogen. Human reproductive effects by ingestion: developmental abnormalities of the cardiovascular system, stillbirth, and unspecified neonatal effects. An anticoagulant. See also WARFARIN and ESTERS. When heated to decomposition it emits acrid and irritating fumes.

Specification

Ethyl biscoumacetate ,its CAS NO. is 548-00-5,the synonyms is 3,3'-(Carboxymethylene)bis(4-hydroxycoumarin) ethyl ester ; 3,3'-Carbaethoxymethylen-bis-(4-oxy-cumarin) ; Aethylis biscumacetas ; Aethylum biscumaceticum ; BOEA ; Bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)acetic acid ethyl ester ; Bis(4-hydroxy-3-coumarin)acetic acid ethyl ester ; Bis(hydroxycoumarin)acetic acid ethyl ester ; Bis-(4-hydroxy-3-coumarinyl)ethyl acetate ; Bis-3,3'-(4-hydroxycumarinyl)acetic acid ethyl ester ; Biscoumacetate d'ethyle ; Dicumacyl ; Ethyl 4,4'-dihydroxydicoumarinyl-3,3'-acetate ; Ethyl bis(4-hydroxy-3-coumarinyl)acetate ; Ethyl bis(4-hydroxycoumarinyl)acetate ; Ethyl ester of 3,3'-carboxymethylenebis(4-hydroxycoumarin) ; Ethyldicoumarol acetate ; Neodicoumarin ; Pelentan ; Trombarin ; 2H-1-Benzopyran-3-acetic acid, 4-hydroxy-alpha-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxo-, ethyl ester (9CI) ; Acetic acid, bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-, ethyl ester .