Iron sulfide - ≥99.9% metals basis , CAS No.12068-85-8

CAS: 12068-85-8 Cat. No.: I302622 Formula: FeS₂ Molecular Weight: 119.98 EC Number: 235-106-8 PubChem CID: 14788

GRADE & PURITY ≥99.9% metals basis

Synonyms

Pyrite, naturally occurring mineral, grains, approximately 0.06-0.19in|Pyrite (FeS2)|Ferric Disulfide|bis(sulfanylidene)iron|Irondisulfide(Ironpyrite)|Iron disulfide|Iron(II) disulfide (isometric)|iron(IV) sulfide|Iron disulfide (Iron pyrite)|Iron sulfide (FeS2)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

Pyrite, naturally occurring mineral, grains, approximately 0.06-0.19in | Pyrite (FeS2) | Ferric Disulfide | bis(sulfanylidene)iron | Irondisulfide(Ironpyrite) | Iron disulfide | Iron(II) disulfide (isometric) | iron(IV) sulfide | Iron disulfide (Iron pyrite) | Iron sulfide (FeS2)

Specifications & Purity

≥99.9% metals basis

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥99.9% metals basis

Product Properties

Excitation and Emision Ranges

1171℃

Names and Identifiers

Pubchem Sid

504752590

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752590

Canonical Smiles

S=[Fe]=S

IUPAC Name

bis(sulfanylidene)iron

InChIKey

NFMAZVUSKIJEIH-UHFFFAOYSA-N

INCHI

1S/Fe.2S

Isomeric SMILES

S=[Fe]=S

PubChem CID

14788

Molecular Weight

119.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal organides
      • Subclass Transition metal sulfides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Transition metal organides
• Subclass: Transition metal sulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal sulfides
• Alternative Parents: Inorganic sulfides Inorganic salts
• Molecular Framework: Not available
• Substituents: Transition metal sulfide - Inorganic sulfide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as transition metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 450 °C(lit.)
• Molecular Weight: 119.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.879 Da
• Monoisotopic Mass: 119.879 Da
• Topological Polar Surface Area: 64.200 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 18.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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