Tribromomethane - ≥99%, contains 1-3% ethanol as stabilizer , CAS No.75-25-2

CAS: 75-25-2 Cat. No.: T108556 Molecular Weight: 252.73 Beilstein Registry Number: 1731048 EC Number: 200-854-6 PubChem CID: 5558

GRADE & PURITY ≥99%, contains 1-3% ethanol as stabilizer

Synonyms

AKOS009031540 | Q409799 | S0653 | DB03054 | FT-0623471 | DTXCID401374 | RCRA waste number U225 | AT27291 | Methyl tribromide | Tribromomethane 100 microg/mL in Methanol | Bromoform [UN2515] [Poison] | BROMOFORM [WHO-DD] | CHBr3 | J-519947 | Methenyl trib

Storage

Protected from light,Room temperature,Desiccated,Cool

Shipped In

FedEx DG Service

Overview

Bromoform (Tribromomethane) was used in the synthesis of α-tribromomethylated N-sulfonylamines.

Specifications

Synonyms

AKOS009031540 | Q409799 | S0653 | DB03054 | FT-0623471 | DTXCID401374 | RCRA waste number U225 | AT27291 | Methyl tribromide | Tribromomethane 100 microg/mL in Methanol | Bromoform [UN2515] [Poison] | BROMOFORM [WHO-DD] | CHBr3 | J-519947 | Methenyl trib

Specifications & Purity

≥99%, contains 1-3% ethanol as stabilizer

Storage

Protected from light, Room temperature, Desiccated, Cool

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(Br)(Br)Br
• IUPAC Name: bromoform
• InChIKey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
• INCHI: 1S/CHBr3/c2-1(3)4/h1H
• Isomeric SMILES: C(Br)(Br)Br
• WGK Germany: 3
• RTECS: PB5600000
• PubChem CID: 5558
• UN Number: 2515
• Packing Group: III
• Molecular Weight: 252.73
• Beilstein: 1731048
• Reaxy-Rn: 1731048

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: Trihalomethanes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three 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

Associated Targets(Human)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 1 g/l 20 °C
• Sensitivity: Light sensitive.
• Refractive Index: 1.5976
• Boil Point(°C): 148-150°C
• Melt Point(°C): 8-9°C
• Molecular Weight: 252.730 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 251.761 Da
• Monoisotopic Mass: 249.763 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 8.000
• 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: 1

References

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