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N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital

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Name

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital

EINECS N/A
CAS No. 67465-43-4 Density g/cm3
PSA 88.43000 LogP 1.64590
Solubility N/A Melting Point N/A
Formula C14H24HgN2O5 Boiling Point °Cat760mmHg
Molecular Weight 500.99 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC. Risk Codes N/A
Molecular Structure Molecular Structure of 67465-43-4 ([3-(5,5-diethyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-2-(1-methylethoxy)propyl]mercury hydrate) Hazard Symbols N/A
Synonyms

N/A

 

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital Chemical Properties

IUPAC Name: [3-(5,5-Diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-propan-2-yloxypropyl]mercury hydrate
Synonyms of N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-43-4): Hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)pyrimidino)-2-isopropoxypropyl)mercury ; Mercury, hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)pyrimidino)-2-isopropoxypropyl)-
InChI: InChI=1/C14H23N2O4.Hg.H2O/c1-6-14(7-2)11(17)15-13(19)16(12(14)18)8-10(5)20-9(3)4;;/h9-10H,5-8H2,1-4H3,(H,15,17,19);;1H2/rC14H23HgN2O4.H2O/c1-5-14(6-2)11(18)16-13(20)17(12(14)19)8-10(7-15)21-9(3)4;/h9-10H,5-8H2,1-4H3,(H,16,18,20);1H2
InChIKey: WLHWUCYISQFHDN-ZZIIMNOFAZ
Std. InChI: InChI=1S/C14H23N2O4.Hg.H2O/c1-6-14(7-2)11(17)15-13(19)16(12(14)18)8-10(5)20-9(3)4;;/h9-10H,5-8H2,1-4H3,(H,15,17,19);;1H2
CAS NO: 67465-43-4
Molecular Formula: C14H25HgN2O5
Molecular Weight: 501.9487
Molecular Structure :
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 66.92 Å2

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 23100ug/kg (23.1mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 37, Pg. 333, 1948.

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital Consensus Reports

Mercury and its compounds are on the Community Right-To-Know List.

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital Safety Profile

Poison by intravenous route. When N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-43-4) is heated to decomposition, it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.

N-(2-Isopropoxy-3-hydroxymercuripropyl)barbital Standards and Recommendations

OSHA PEL: CL 0.1 mg(Hg)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Hg)/m3 (skin); BEI: 35 µg/g creatinine total inorganic mercury in urine preshift; 15 µg/g creatinine total inorganic mercury in blood at end of shift at end of workweek.
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Mercury, Aryl and Inorganic) CL 0.1 mg/m3 (skin)

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