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734-88-3

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Basic Information
CAS No.: 734-88-3
Name: ethyl 5,6-benzocoumarin-3-carboxylate
Article Data: 66
Molecular Structure:
Molecular Structure of 734-88-3 (ethyl 5,6-benzocoumarin-3-carboxylate)
Formula: C16H12 O4
Molecular Weight: 268.269
Synonyms: Malonicacid, [(2-hydroxy-1-naphthyl)methylene]-, d-lactone, ethyl ester (6CI,7CI); 3-Ethoxycarbonyl-5,6-benzocoumarin;5,6-Benzo-3-carbethoxycoumarin; 5,6-Benzocoumarin-3-carboxylic acid ethylester; Ethyl 5,6-benzocoumarin-3-carboxylate
Density: 1.319g/cm3
Boiling Point: 473°C at 760 mmHg
Flash Point: 247.9°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 56.51000
LogP: 3.12290
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Chemistry

Molecular structure of 5,6-Benzocoumarin-3-carboxylic acid ethyl ester (CAS NO.734-88-3) is:

Product Name: 5,6-Benzocoumarin-3-carboxylic acid ethyl ester
CAS Registry Number: 734-88-3
IUPAC Name: ethyl 3-oxobenzo[f]chromene-2-carboxylate
Molecular Weight: 268.26408 [g/mol]
Molecular Formula: C16H12O4
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 4
Surface Tension: 54.5 dyne/cm
Density: 1.319 g/cm3
Flash Point: 247.9 °C
Enthalpy of Vaporization: 73.61 kJ/mol
Boiling Point: 473 °C at 760 mmHg
Vapour Pressure: 4.06E-09 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent

Uses

 5,6-Benzocoumarin-3-carboxylic acid ethyl ester (CAS NO.734-88-3) can be used as optical bleaching agent and anticoagulant.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 590mg/kg (590mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
rat LD50 oral 1580mg/kg (1580mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 5,6-Benzocoumarin-3-carboxylic acid ethyl ester , its cas register number is 734-88-3. It also can be called 3-Carboxy-2H-naphtho(2,1-b)pyran-2-one, ethyl ester ; 3-Oxo-3H-naphtho(2,1-b)pyran-2-carboxylic acid ethyl ester ; 5,6-Benzocoumarin-3-carboxylic acid ethyl ester ; 5,6-Benzocumarin-3-carbonic acid ethyl ether ; 5-18-08-00444 (Beilstein Handbook Reference) ; BRN 0234987 ; Belophar KLA ; Compound 13-61 ; EINECS 211-997-9 ; Optical bleach 13-61 ; 3H-Naphtho(2,1-b)pyran-2-carboxylic acid, 3-oxo-, ethyl ester ; Ethyl 5,6-benzocoumarin-3-carboxylate .