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Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO2,kO4)-, (SP-4-3)-

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Name

Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO2,kO4)-, (SP-4-3)-

EINECS N/A
CAS No. 63470-53-1 Density N/A
PSA 26.30000 LogP 2.66760
Solubility N/A Melting Point N/A
Formula C7H10AuF3O2 Boiling Point 195.6 °C at 760 mmHg
Molecular Weight 380.1149 Flash Point 72.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 63470-53-1 (DIMETHYL(TRIFLUOROACETYLACETONATE)GOLD (III)) Hazard Symbols N/A
Synonyms

Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-O,O')-, (SP-4-3)-;Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO,kO')-, (SP-4-3)- (9CI);2,4-Pentanedione, 1,1,1-trifluoro-, gold complex;(1,1,1-Trifluoroacetylacetonato)dimethylgold;Dimethyl(1,1,1-trifluoro-2,4-pentanedionato)gold;Dimethyl(trifluoroacetylacetonato)gold;Dimethylgold trifluoroacetylacetonate;

 

Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO2,kO4)-, (SP-4-3)- Specification

The Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO2,kO4)-, (SP-4-3)-, with the CAS registry number 63470-53-1, has the molecular formula C7H10AuF3O2. Besides, its molecular weight is 380.029841. Its IUPAC name is called carbanide; gold(3+); (Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate. The product should be sealed and stored in cool and dry place.

Physical properties of Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kO2,kO4)-, (SP-4-3)-: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 66.82; (6)ACD/BCF (pH 7.4): 55.91; (7)ACD/KOC (pH 5.5): 704.04; (8)ACD/KOC (pH 7.4): 589.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 72.1 °C; (13)Enthalpy of Vaporization: 50.24 kJ/mol; (14)Boiling Point: 195.6 °C at 760 mmHg; (15)Vapour Pressure: 0.108 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [CH3-].[CH3-].CC(=O)C=C(C(F)(F)F)[O-].[Au+3]
(2)Isomeric SMILES: [CH3-].[CH3-].CC(=O)/C=C(/C(F)(F)F)\[O-].[Au+3]
(3)InChI: InChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,10H,1H3;2*1H3;/q;2*-1;+3/p-1/b4-2-;;;
(4)InChIKey: BHCGHWWGHSVXTA-GCOIFOBGSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 81mg/m3/4H (81mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
National Technical Information Service. Vol. OTS0518508-1,

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