Tetrabromomethane - ≥98% , CAS No.558-13-4

CAS: 558-13-4 Cat. No.: T106846 Formula: CBr₄ Molecular Weight: 331.63 Beilstein Registry Number: 1732799 EC Number: 209-189-6 PubChem CID: 11205

GRADE & PURITY ≥98%

Synonyms

Tetrabromkohlenstoff | UNII-NLH657095L | BRN 1732799 | NSC6179 | TETRABROMOMETHANE | tetra-bromomethane | tetrabromo-methane | CHEBI:47875 | Kohlenstofftetrabromid | Tetrabrommethan | tetrabromometliane | Bromid uhlicity | Carbon tetrabromide, vacuum subl

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Tetrabromkohlenstoff | UNII-NLH657095L | BRN 1732799 | NSC6179 | TETRABROMOMETHANE | tetra-bromomethane | tetrabromo-methane | CHEBI:47875 | Kohlenstofftetrabromid | Tetrabrommethan | tetrabromometliane | Bromid uhlicity | Carbon tetrabromide, vacuum subl

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181287
• Canonical Smiles: C(Br)(Br)(Br)Br
• IUPAC Name: tetrabromomethane
• InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N
• INCHI: 1S/CBr4/c2-1(3,4)5
• Isomeric SMILES: C(Br)(Br)(Br)Br
• WGK Germany: 3
• RTECS: FG4725000
• PubChem CID: 11205
• UN Number: 2516
• Packing Group: III
• Molecular Weight: 331.63
• Beilstein: 1732799
• Reaxy-Rn: 1732799

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Halomethanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halomethane - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halomethanes. These are organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• External Descriptors: one-carbon compound - bromomethanes

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, soluble in ethanol, ether, and chloroform.
• Sensitivity: Light sensitive.
• x_refractive_index: 1.5942(100℃)
• x_boil_point_char: 189-190°C
• x_melt_point_char: 91-95°C
• Molecular Weight: 331.630 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 331.669 Da
• Monoisotopic Mass: 327.673 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.100
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 558-13-4, the molecular formula is CBr4, and the molecular weight is 331.63 g/mol. InChIKey HJUGFYREWKUQJT-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.