Product Name

  • Name

    ethyl 5,6-benzocoumarin-3-carboxylate

  • EINECS
  • CAS No. 734-88-3
  • Article Data66
  • CAS DataBase
  • Density 1.319g/cm3
  • Solubility
  • Melting Point
  • Formula C16H12 O4
  • Boiling Point 473°C at 760 mmHg
  • Molecular Weight 268.269
  • Flash Point 247.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 734-88-3 (ethyl 5,6-benzocoumarin-3-carboxylate)
  • Hazard Symbols
  • 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
  • PSA 56.51000
  • LogP 3.12290

5,6-Benzocoumarin-3-carboxylic acid ethyl ester Chemical Properties

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 Uses

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

5,6-Benzocoumarin-3-carboxylic acid ethyl ester 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.

5,6-Benzocoumarin-3-carboxylic acid ethyl ester Consensus Reports

Reported in EPA TSCA Inventory.

5,6-Benzocoumarin-3-carboxylic acid ethyl ester Safety Profile

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

5,6-Benzocoumarin-3-carboxylic acid ethyl ester 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 .

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