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Ketone, hydroxymethyl 1-iodo-3-adamantyl

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Ketone, hydroxymethyl 1-iodo-3-adamantyl

EINECS
CAS No. 73599-92-5 Density 1.71g/cm3
Solubility Melting Point
Formula C12H17IO2 Boiling Point 379.8°Cat760mmHg
Molecular Weight 320.19 Flash Point 183.5°C
Transport Information Appearance
Safety Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits toxic vapors of I. Risk Codes
Molecular Structure Molecular Structure of 73599-92-5 (HYDROXYMETHYL 1-IODO-3-ADAMANTYL KETONE			) Hazard Symbols
Synonyms

 

Ketone, hydroxymethyl 1-iodo-3-adamantyl Chemical Properties

Product Name: Ketone, hydroxymethyl 1-iodo-3-adamantyl (CAS NO.73599-92-5)


Molecular Formula: C12H17IO2
Molecular Weight: 320.19g/mol
Mol File: 73599-92-5.mol
Boiling point: 379.8 °C at 760 mmHg
Flash Point: 183.5 °C
Density: 1.71 g/cm3
Surface Tension: 54.4 dyne/cm
Enthalpy of Vaporization: 72.62 kJ/mol
Vapour Pressure: 2.51E-07 mmHg at 25°C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Ketone, hydroxymethyl 1-iodo-3-adamantyl (CAS NO.73599-92-5):
  IUPAC Name: 2-hydroxy-1-(3-iodo-1-adamantyl)ethanone
  Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)I)C(=O)CO
  InChI: InChI=1S/C12H17IO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)10(15)6-14/h8-9,14H,1-7H2 
  InChIKey: NFGWXXQYJPQLGL-UHFFFAOYSA-N

Ketone, hydroxymethyl 1-iodo-3-adamantyl Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 798mg/kg (798mg/kg) BEHAVIORAL: ANTICONVULSANT Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980.

Ketone, hydroxymethyl 1-iodo-3-adamantyl Safety Profile

Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits toxic vapors of I.

Ketone, hydroxymethyl 1-iodo-3-adamantyl Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Ketone, hydroxymethyl 1-iodo-3-adamantyl Specification

 Ketone, hydroxymethyl 1-iodo-3-adamantyl , its CAS NO. is 73599-92-5, the synonyms are BRN 1877155 ; Ethanone, 2-hydroxy-1-(1-iodo-3-adamantyl)- .

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