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Hydrindantin dihydrate

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Name

Hydrindantin dihydrate

EINECS N/A
CAS No. 5950-69-6 Density 1.997g/cm3
PSA 127.20000 LogP 0.47840
Solubility Insoluble in water. Soluble with decomposition in aqueous sodium carbonate (deep red color) and in sodium hydroxide solutions (deep blue color). Melting Point 252 °C (dec.)(lit.)

Formula C18H14 O8 Boiling Point 633.5oC at 760 mmHg
Molecular Weight 358.304 Flash Point 350.9oC
Transport Information N/A Appearance light beige to beige-pink powder
Safety Poison by intravenous route. When heated to decomposition it emits acrid smoke and fumes. Risk Codes R22; R41; R36/37/38
Molecular Structure Molecular Structure of 5950-69-6 (HYDRINDANTIN) Hazard Symbols Xn,Xi
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

 

Hydrindantin dihydrate Chemical Properties

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

Hydrindantin dihydrate 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,

Hydrindantin dihydrate Consensus Reports

Reported in EPA TSCA Inventory.

Hydrindantin dihydrate 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: XnHarmful,XiIrritant
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

Hydrindantin dihydrate 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 .

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