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Name |
5,6-Benzocoumarin-3-carboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 734-88-3 | Density | 1.319g/cm3 |
PSA | 56.51000 | LogP | 3.12290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H12 O4 | Boiling Point | 473°C at 760 mmHg |
Molecular Weight | 268.269 | Flash Point | 247.9°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 66 |
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
5,6-Benzocoumarin-3-carboxylic acid ethyl ester (CAS NO.734-88-3) can be used as optical bleaching agent and anticoagulant.
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. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
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 .