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| Name |
4-Bromo-2-phenyl-1,3-indandione |
EINECS | N/A |
| CAS No. | 1470-37-7 | Density | 1.569g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H9 Br O2 | Boiling Point | 468.5°Cat760mmHg |
| Molecular Weight | 301.15 | Flash Point | 161.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Br−. See also BROMIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Indandione,4-bromo-2-phenyl- (7CI,8CI); 4-Bromo-2-phenylindan-1,3-dione |
4-Bromo-2-phenyl-1,3-indandione Chemical Properties
Product Name: 4-Bromo-2-phenyl-1,3-indandione (CAS NO.1470-37-7)
Molecular Formula: C15H9BrO2
Molecular Weight: 301.15g/mol
Mol File: 1470-37-7.mol
Boiling point: 468.5 °C at 760 mmHg
Flash Point: 161.8 °C
Density: 1.569 g/cm3
Surface Tension: 56.3 dyne/cm
Enthalpy of Vaporization: 73.07 kJ/mol
Vapour Pressure: 5.96E-09 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Bromo-2-phenyl-1,3-indandione (CAS NO.1470-37-7):
IUPAC Name: 4-Bromo-2-phenylindene-1,3-dione
Canonical SMILES: C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)Br
InChI: InChI=1S/C15H9BrO2/c16-11-8-4-7-10-13(11)15(18)12(14(10)17)9-5-2-1-3-6-9/h1-8,12H
InChIKey: XBAPWQXUHHXVQL-UHFFFAOYSA-N
4-Bromo-2-phenyl-1,3-indandione Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 160mg/kg (160mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 873, 1975. | |
| mouse | LD50 | oral | 114mg/kg (114mg/kg) | Farmaco, Edizione Scientifica. Vol. 31, Pg. 403, 1976. | |
| rat | LD50 | oral | 745mg/kg (745mg/kg) | Farmaco, Edizione Scientifica. Vol. 31, Pg. 403, 1976. |
4-Bromo-2-phenyl-1,3-indandione Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Br−. See also BROMIDES.
4-Bromo-2-phenyl-1,3-indandione Specification
4-Bromo-2-phenyl-1,3-indandione , its CAS NO. is 1470-37-7, the synonyms are 4-Bromo-2-fenilindan-1,3-dione ; BRN 2214705 ; 1,3-Indandione, 4-bromo-2-phenyl- .
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