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Cas Database |
| Name |
Bishydroxycoumarin |
EINECS | N/A |
| CAS No. | 66-76-2 | Density | 1.573g/cm3 |
| PSA | 100.88000 | LogP | 2.90140 |
| Solubility | Soluble in aqueous alkaline solutions, organic bases, 0.1 N NaOH (15 mg/ml), Pyridine (50 mg/ml), chloroform (slightly soluble), and benzene (slightly soluble). Insoluble in water, and alcohols. | Melting Point |
290-292 °C(lit.) |
| Formula | C19H12 O6 | Boiling Point | 620.702oC at 760 mmHg |
| Molecular Weight | 336.301 | Flash Point | 231.949°C |
| Transport Information | N/A | Appearance | white fine crystalline powder |
| Safety | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Human reproductive effects by ingestion and possibly other routes: fetal death, unspecified developmental abnormalities, stillbirth, and unspecified neonatal effects. An anticoagulant. Excessive doses can cause hemorrhages. When heated to decomposition it emits acrid smoke and fumes. See also WARFARIN. | Risk Codes | R22;R48/25;R51/53; |
| Molecular Structure |
|
Hazard Symbols |
 T N
|
| Synonyms |
Coumarin,3,3'-methylenebis[4-hydroxy- (8CI);3,3'-Methylenebis[4-hydroxy-1,2-benzopyrone]; 3,3'-Methylenebis[4-hydroxycoumarin];Acadyl; Acavyl; Antitrombosin; Baracoumin; Bis(4-hydroxycoumarin-3-yl)methane;Bis-3,3'-(4-hydroxycoumarinyl)methane; Bishydroxycoumarin; Cuma; Cumid;Di-4-hydroxy-3,3'-methylenedicoumarin; Dicoumal; Dicoumarin; Dicoumarol;Dicuman; Dicumarine; Dicumarol; Dicumol; Dufalone; Kumoran; Melitoxin; NC 034;NSC 17860; NSC 221570; NSC 41834; Temparin; Trombosan |
Article Data | 41 |
Bishydroxycoumarin Chemical Properties
Bishydroxycoumarin ,its CAS register number is 66-76-2,it's also named as Bis-hydroxycoumarin ; Biscumarol ; Dicumarol ; Dicoumarin ; 3,3'-Methylenebis(4-hydroxycoumarin) ; 2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- ; Acavyl ; Melitoxin ; Dicumarine ,and so on. Bishydroxycoumarin (CAS No.66-76-2) is white fine crystalline powder.
IUPAC Name: 2-Hydroxy-3-[(2-hydroxy-4-oxochromen-3-yl)methyl]chromen-4-one
CAS: 66-76-2
Molecular Formula: C19H12O6
Molecular Weight: 336.29
Molecular structure:
EINECS: 200-632-9
Melting point: 290-292 °C(lit.)
Merck: 3090
ACD/LogD (pH 5.5): 1.4
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 5.5): 3.3
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 34.48
ACD/KOC (pH 7.4): 1
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 4
Index of Refraction: 1.73
Molar Refractivity: 85.38 cm3
Molar Volume: 213.7 cm3
Polarizability: 33.85 10-24cm3
Surface Tension: 80.7 dyne/cm
Density: 1.573 g/cm3
Flash Point: 191.5 °C
Enthalpy of Vaporization: 83.44 kJ/mol
Boiling Point: 519.7 °C at 760 mmHg
Vapour Pressure: 1.25E-11 mmHg at 25°C
Bishydroxycoumarin Uses
Bishydroxycoumarin (CAS No.66-76-2) is commonly used as pharmaceutical intermediate.
Bishydroxycoumarin Toxicity Data With Reference
| 1. | orl-rat LD50:250 mg/kg | SMWOAS Schweizerische Medizinische Wochenschrift. 83 (1953),471. | ||
| 2. | ivn-rat LD50:52 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 50 (1942),228. | ||
| 3. | orl-mus LD50:233 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 50 (1942),228. | ||
| 4. | ipr-mus LD50:91 mg/kg | DIPHAH Dissertationes Pharmaceuticae. 17 (1965),163. | ||
| 5. | scu-mus LD50:50 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 8 (1)(1982),360. | ||
| 6. | ivn-mus LD50:42 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 222 (1954),107. |
RTECS: GN7875000
Bishydroxycoumarin Consensus Reports
Reported in EPA TSCA Inventory.
Bishydroxycoumarin Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Human reproductive effects by ingestion and possibly other routes: fetal death, unspecified developmental abnormalities, stillbirth, and unspecified neonatal effects. An anticoagulant. Excessive doses can cause hemorrhages. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: T,N .gif){kind=small}
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Risk Statements: 22-48/25-51/53 (R22:Harmful if swallowed. R48:Danger of serious damage to health by prolonged exposure. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.)
Safety Statements: 37-45-61 (S37:Wear suitable gloves. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61:Avoid release to the environment. Refer to special instructions / safety data sheets.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup: III
Bishydroxycoumarin Specification
Removal in wastewater treatment of Bishydroxycoumarin (CAS No.66-76-2) can be stated as follows:
Total removal:2.82 percent
Total biodegradation:0.10 percent
Total sludge adsorption:2.72 percent
Total to Air:0.00 percent
(using 10000 hr Bio P,A,S)
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