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| CAS No.: | 5950-69-6 |
|---|---|
| Name: | HYDRINDANTIN |
| Molecular Structure: | |
|
|
|
| Formula: | C18H14 O8 |
| Molecular Weight: | 358.304 |
| Synonyms: | [2,2'-Biindan]-1,1',3,3'-tetrone,2,2'-dihydroxy-, 1,1'-dihydrate (7CI); [2,2'-Biindan]-1,1'-dione,2,2',3,3,3',3'-hexahydroxy- (8CI); Hydrindantin dihydrate; NSC 108697 |
| Density: | 1.997g/cm3 |
| Melting Point: |
252 °C (dec.)(lit.) |
| Boiling Point: | 633.5oC at 760 mmHg |
| Flash Point: | 350.9oC |
| Solubility: | Insoluble in water. Soluble with decomposition in aqueous sodium carbonate (deep red color) and in sodium hydroxide solutions (deep blue color). |
| Appearance: | light beige to beige-pink powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | R22; R41; R36/37/38 |
| Safety: | Poison by intravenous route. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 127.20000 |
| LogP: | 0.47840 |
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Chemistry
Product Name: Hydrindantin dihydrate (CAS NO.5950-69-6)
Molecular Formula: C18H10O6
Molecular Weight: 322.27g/mol
Mol File: 5950-69-6.mol
Einecs: 227-713-1
Appearance: Light beige to beige-pink powder
Melting Point: 252 °C (dec.)(lit.)
Boiling point: 633.5 °C at 760 mmHg
Flash Point: 350.9 °C
Density: 1.997 g/cm3
Surface Tension: 175.6 dyne/cm
Enthalpy of Vaporization: 98.43 kJ/mol
Vapour Pressure: 6.41E-17 mmHg at 25°C
XLogP3-AA: -2.1
H-Bond Donor: 6
H-Bond Acceptor: 8
Structure Descriptors of Hydrindantin dihydrate (CAS NO.5950-69-6):
IUPAC Name: 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
InChI: InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H
InChIKey: QHVADKNWNMILPQ-UHFFFAOYSA-N
Product Categories: Detection Products for Amino Acid Analysis; Amino Acid Analysis; Peptide Analysis and Characterization
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00810, |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits acrid smoke and fumes.
Safety Information of Hydrindantin dihydrate (CAS NO.5950-69-6):
Hazard Codes: Xn
,Xi
Risk Statements: 22-41-36/37/38
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
41: Risk of serious damage to eyes
Safety Statements: 26-39-36/37/39-27
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
WGK Germany: 2
RTECS: DU2989000
F: 8
Specification
Hydrindantin dihydrate , its CAS NO. is 5950-69-6, the synonyms are BRN 1895666 ; EINECS 227-713-1 ; Hydrindantin, anhydrous ; NSC 108697 ; (2,2'-Bi-1H-indene)-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy- ; (2,2'-Biindan)-1,1',3,3'-tetrone, 2,2'-dihydroxy-, 1,1'-dihydrate (7CI) ; (2,2'-Biindan)-1,1'-dione, 2,2',3,3,3',3'-hexahydroxy-2,2',3,3,3',3'-Hexahydroxy-2,2'-bisindan-1,1'-dione .