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18431-36-2

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Basic Information
CAS No.: 18431-36-2
Name: HEXYLMERCURYBROMIDE
Molecular Structure:
Molecular Structure of 18431-36-2 (HEXYLMERCURYBROMIDE)
Formula: C6H13 Br Hg
Molecular Weight: 365.663
Synonyms: Hexylmercurybromide (6CI); Hexylmercuric bromide; n-Hexylmercuribromide
Boiling Point: 206°C
Safety: Poison by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic fumes of Hg and Br−.
PSA: 0.00000
LogP: -0.59770
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Chemistry

Molecule structure of n-Hexylmercuric bromide (CAS NO.18431-36-2) :

IUPAC Name: bromo(hexyl)mercury 
Molecular Weight: 365.66142 g/mol
Molecular Formula: C6H13BrHg
Rotatable Bond Count: 4
Exact Mass: 365.990689
MonoIsotopic Mass: 365.990689
Heavy Atom Count: 8
Complexity: 39.5
Canonical SMILES: CCCCCC[Hg]Br
InChI: InChI=1S/C6H13.BrH.Hg/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q;;+1/p-1
InChIKey: AOODJDXHIRGJTC-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

cyt-ham:oth 1400 nmol/L

     HEREAY    Hereditas. 79 (1975),306.
2.    

scu-mus LD50:56,100 µg/kg

     OSDIAF    Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. 5 (1956),388.

Safety Profile

Poison by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic fumes of Hg and Br−.

Standards and Recommendations

OSHA PEL: TWA 0.01 mg(Hg)/m3; CL 0.03 mg(Hg)/m3 (skin)
ACGIH TLV: TWA 0.01 mg(Hg)/m3; 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, Organo) TWA 0.01 mg/m3; STEL 0.03 mg/m3 (skin)

Specification

 n-Hexylmercuric bromide (CAS NO.18431-36-2) is also called Bromohexylmercury ; HMB ; Hexyl mercury bromide ; Hexylmercuric bromide ; Hexylmercury bromide ; n-Hexylmercuribromide .