tricyclo[3.3.1.1^{3,7}]tetraarsathiane

• ChemBase ID: 106839
• Molecular Formular: As4S6
• Molecular Mass: 492.0764
• Monoisotopic Mass: 491.51881
• SMILES: S1[As]2S[As]3S[As]1S[As](S2)S3
• Canonical SMILES: S1[As]2S[As]3S[As]1S[As](S2)S3
• InChI: InChI=1S/As4S6/c5-1-6-3-8-2(5)9-4(7-1)10-3
• InChIKey: OUFDYFBZNDIAPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[3.3.1.1^{3,7}]tetraarsathiane; tricyclo[3.3.1.1^3,^7]tetraarsathiane
• IUPAC Traditional name: arsenic trisulfide
• Synonyms: ARSENIC TRISULFIDE PRACTICAL GRADE; Arsenic(III) sulfide; Orpiment; Arsenic trisulfide; Arsenic(III) sulfide; 硫化砷(III)

Database IDs

• CAS Number: 1303-33-9
• EC Number: 215-117-4
• MDL Number: MFCD00003435
• Merck Index: 14806
• PubChem SID: 162093466
• PubChem CID: 4093503; 24884190
• Chemspider ID: 21241348
• Unique Ingredient Identifier: 44SIJ800OX
• Wikipedia Title: Arsenic_trisulfide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.687
• LogD (pH = 7.4): 6.687
• Log P: 6.687
• Molar Refractivity: 34.5348 cm^3
• Polarizability: 33.43352 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: 12mm & Down Fused Lump; Orange crystals
• Melting Point: 300°C; 310°C
• Boiling Point: 707°C; 707°C
• Density: 3.43; 3.43 g cm^-3

Safety Information

• RTECS: CG2638000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN1557
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25-50/53; R:23/25
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21
• TSCA Listed: 是
• EU Index: 033-002-00-5
• GHS Pictograms: GHS06; : Acute Tox. 3; GHS09; : Aquatic Acute 1, Aquatic Chronic 1
• GHS Signal Word: DANGER
• NFPA704:
  

  3

  0
• Permissible exposure limit: 0.01 mg?m^-3 TWA (as As)
• GHS Hazard statements: 300, 331, 400, 411; H301-H331-H400-H410
• GHS Precautionary statements: P273-P270-P302+P352-P309-P310-P501A

Product Information

• Purity: 99.999% (metals basis)
• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05201611

MP Biomedicals Rare Chemical collection