Chromium hexacarbonyl - ≥99.99% metals basis , CAS No.13007-92-6

CAS: 13007-92-6 Cat. No.: C757499 Formula: Cr(CO)₆ Molecular Weight: 220.06 EC Number: 235-852-4

GRADE & PURITY ≥99.99% metals basis

Synonyms

Chromium carbonyl | Hexacarbonylchromium | Chromium hexacarbonyl

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Precursor to a prenylatedcarbene complex which promotes a net [5+5] cycloaddition of alkynylbenzaldehydes to give phenanthrenes.

Specifications

Synonyms

Chromium carbonyl | Hexacarbonylchromium | Chromium hexacarbonyl

Specifications & Purity

≥99.99% metals basis

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥99.99% metals basis

Names and Identifiers

Canonical Smiles

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

IUPAC Name

carbon monoxide;chromium

InChIKey

KOTQLLUQLXWWDK-UHFFFAOYSA-N

INCHI

1S/6CO.Cr/c6*1-2;

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

WGK Germany

3

RTECS

GB5075000

UN Number

3281

Packing Group

I

Molecular Weight

220.06

Reaxy-Rn

13860882

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13860882&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Miscellaneous mixed metal/non-metals

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Miscellaneous mixed metal/non-metals
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Miscellaneous mixed metal/non-metals
• Alternative Parents: Inorganic salts
• Molecular Framework: Not available
• Substituents: Inorganic salt - Miscellaneous mixed metal/non-metal
• Description: This compound belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.
• External Descriptors: metal carbonyl - organochromium compound

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: Soluble in ether, chloroform, tetrahydropyran and methylene chloride. Insoluble in water
• Sensitivity: Light and HeatSensitive
• Boil Point(°C): 220°C
• Melt Point(°C): 150°C
• Molecular Weight: 220.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 219.91 Da
• Monoisotopic Mass: 219.91 Da
• Topological Polar Surface Area: 6.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 10.000
• 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: 7

XLogP3

Frequently Asked Questions

What does the trace-metals specification mean?

This product is specified at ≥99.99% on a trace-metals basis. That figure describes metallic impurity content rather than overall chemical assay, so it is the relevant specification for ICP-MS, semiconductor and battery applications. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13007-92-6, the molecular formula is Cr(CO)6, and the molecular weight is 220.06 g/mol. InChIKey KOTQLLUQLXWWDK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.