dichlorodioxochromium

• ChemBase ID: 126579
• Molecular Formular: Cl2CrO2
• Molecular Mass: 154.9009
• Monoisotopic Mass: 153.8680421
• SMILES: Cl[Cr](=O)(=O)Cl
• Canonical SMILES: Cl[Cr](=O)(=O)Cl
• InChI: InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+2;;/p-2
• InChIKey: AHXGRMIPHCAXFP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorodioxochromium
• IUPAC Systematic name: Dichlorodioxochromium
• IUPAC Traditional name: chromyl chloride
• Synonyms: Chromium(VI) dichloride dioxide; Chromium(VI) oxychloride; Dichlorochromium(VI) oxide; Chromyl chloride; Chromic acid chloride; Chromium oxychloride; Etard Reagent; Chromyl chloride; 二氯氧化铬; 铬酰氯

Database IDs

• CAS Number: 14977-61-8
• EC Number: 239-056-8
• MDL Number: MFCD00010951
• PubChem SID: 24851954
• PubChem CID: 22150757
• CHEBI ID: 33038
• Chemspider ID: 21106426
• Wikipedia Title: Chromyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1838
• LogD (pH = 7.4): -0.1838
• Log P: -0.1838
• Molar Refractivity: 15.1584 cm^3
• Polarizability: 9.186226 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water
• Apperance: deep red fuming liquid; liquid
• Melting Point: -96.5 °C; -96.5 °C(lit.)
• Boiling Point: 117 °C; 117 °C(lit.)
• Density: 1.911 g/mL at 25 °C(lit.); 1.911 g/mL, liquid

Safety Information

• RTECS: GB5775000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); Oxidising (O); Toxic (T)
• UN Number: 1758
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 49-46-8-35-43-50/53; R49 R46 R8 R35 R43 R50/53
• Safety Statements: 53-45-60-61; S53 S45 S60 S61
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H271-H314-H317-H340-H350i-H410
• GHS Precautionary statements: P201-P220-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1758 8/PG 1

Product Information

• Purity: ≥99.99% trace metals basis
• Linear Formula: CrO2Cl2

DETAILS

Sigma Aldrich - 200042

Packaging
10 g in ampule