bis(cyanosulfanyl)mercury

• ChemBase ID: 130538
• Molecular Formular: C2HgN2S2
• Molecular Mass: 316.7548
• Monoisotopic Mass: 317.92093301
• SMILES: C(#N)S[Hg]SC#N
• Canonical SMILES: N#CS[Hg]SC#N
• InChI: InChI=1S/2CHNS.Hg/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: GBZANUMDJPCQHY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyanosulfanyl)mercury
• IUPAC Traditional name: mercuric thiocyanate
• Synonyms: Mercury di(thiocyanate); Thiocyanic acid, mercury(II) salt; Mercury(II) thiocyanate; Mercuric isothiocyanate; Mercuric sulfocyanide; Mercuric thiocyanate; 硫氰酸汞; 硫氰酸汞(II)

Database IDs

• CAS Number: 592-85-8
• EC Number: 209-773-0
• MDL Number: MFCD00011039
• Beilstein Number: 3561344
• PubChem SID: 24871785; 24887939; 24896904; 162224816
• PubChem CID: 16685035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.3092
• LogD (pH = 7.4): 0.3092
• Log P: 0.3092
• Molar Refractivity: 28.8982 cm^3
• Polarizability: 17.981943 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 165 °C (dec.)(lit.)
• Flash Point: 120 °C; 248 °F
• Density: 3.71 g/mL at 25 °C(lit.)

Safety Information

• RTECS: XL1550000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1646
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27/28-32-33-50/53; 26/27/28-33-50/53
• Safety Statements: 13-28-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H373-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1646 6.1/PG 2

Product Information

• Purity: ≥97.0% (precipitation titration); ≥99.0%; 96.5-103.5% (titration); 98%; 99.99% trace metals basis
• Grade: JIS special grade; purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤1000 mg/kg; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Linear Formula: Hg(SCN)2

DETAILS

Sigma Aldrich - 208132

Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1

Sigma Aldrich - 481823

Packaging
5 g in amber poly
Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1

Sigma Aldrich - M4128

Application
Catalyst for addition of HSCN to alkynes.
包装
25, 100, 250 g in glass bottle
Quality
含少量不溶于稀酸的硫氰酸亚汞。

Sigma Aldrich - 83374

Application
Catalyst for addition of HSCN to alkynes.