Zirconium sulfide (ZrS2)
Basic information
- CAS
12039-15-5- Standard SMILES
[S]=[Zr]=[S]- InChIKey
WVMYSOZCZHQCSG-UHFFFAOYSA-N- Molecular formula
- S2Zr
- Average molar mass
- 155.36 g/mol
- Monoisotopic mass
- 153.848841
Names & identifiers
- Preferred name
- Zirconium sulfide (ZrS2)
- IUPAC
- bis(sulfanylidene)zirconium
- English name
- ZIRCONIUM SULFIDE
- Molecular formula
- S2Zr
- Molecular weight
- 155.35
Names & synonyms
Zirconium sulfideZirconium sulfide (ZrS2)12039-15-5EINECS 234-885-1DTXSID7065205RefChem:196146DTXCID1033614Zirconium (IV) sulfidebis(sulfanylidene)zirconiumZIRCONIUM(IV) SULFIDEMFCD00054116Zirconium disulphide
Show more names
ZIRCONIUMSULPHIDEdithioxozirconiumzirconium disulfideZIRCONIUM(IV)SULFIDEzirconiumsulfide(zrs2)Zirconium(IV)disulfideZIRCONIUM SULFIDE，99.9%
Zirconium disulphide, bis(sulfanylidene)zirconiumBis(sulfido)zirconiumZirconium Sulfide PowderZirconium Sulfide(ZrS2)SCHEMBL29746658SY070729
Database identifiers
- CAS
12039-15-5- PubChem CID
- 82867
- DTXSID
DTXSID7065205- EC Number
- 234-885-1
- Nikkaji
- J134.221E
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 18.3
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Inorganic Compounds
Physical DescriptionReddish-brown powder; [MSDSonline]
Physicochemical properties
- Melting point
- 1550 °C · 1550°C
- Density
- 3 · 3,87 g/cm3
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- solubility
- 2 O · insoluble in H2O
- form
- Powder
- color
- reddish-brown
- Specific Gravity
- 3.87 · 3.87
- Water Solubility
- 2 O · insoluble H2O [HAW93]
- Crystal Structure
- 2 type · CdI2 type
- crystal system
- Three sides
- Space group
- 3 m1 · P3m1
- Lattice constant
- a/nm
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryAn irritant; The heavy metal sulfides are generally insoluble and show little toxic action except through the liberation of hydrogen sulfide. [MSDSonline] See Zirconium.
Safety & protection
Exposure Control and Personal Protection1.0 [mg/m3], inhalable fraction (metal and insol. cmpds.)[German Research Foundation (DFG)]
Threshold Limit Values (TLV)
5.0 [mg/m3], as Zr
10.0 [mg/m3], as Zr
Permissible Exposure Limit (PEL)5.0 [mg/m3], as Zr (compounds)
Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Zr
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationZirconium sulfide (ZrS2): ACTIVE
Applications
UsesA solid lubricant.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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