1,2-diarsa-3-ferracycloprop-1-ene

• ChemBase ID: 142869
• Molecular Formular: As2FeH2
• Molecular Mass: 207.70408
• Monoisotopic Mass: 207.79377956
• SMILES: [Fe]1[AsH]=[AsH]1
• Canonical SMILES: [AsH]1=[AsH][Fe]1
• InChI: InChI=1S/As2.Fe/c1-2;/q-2;+2
• InChIKey: RNRFOIOHWLNCHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diarsa-3-ferracycloprop-1-ene
• IUPAC Traditional name: 1,2-diarsa-3-ferracycloprop-1-ene
• Synonyms: Iron diarsenide; 二砷化铁

Database IDs

• CAS Number: 12006-21-2
• EC Number: 234-947-8
• MDL Number: MFCD00151532
• PubChem SID: 162237095
• PubChem CID: 71310805

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9
• LogD (pH = 7.4): 1.9
• Log P: 1.9
• Molar Refractivity: 0.0 cm^3
• Polarizability: 10.956649 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: pieces
• Melting Point: 990 °C
• Density: 7.4 g/cm3 at 25 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1557
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1557 6.1/PG 3

Product Information

• Purity: 99.5% trace metals basis
• Empirical Formula (Hill Notation): As2Fe

DETAILS

Sigma Aldrich - 709271

Packaging
1, 5 g in glass bottle