Tribromomethane - PureSpectra™, Spectrum pure , CAS No.75-25-2

CAS: 75-25-2 Cat. No.: T121971 Formula: CHBr₃ Molecular Weight: 252.73 Beilstein Registry Number: 1731048 EC Number: 200-854-6 PubChem CID: 5558

GRADE & PURITY PureSpectra™, Spectrum pure

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

Shipped In

FedEx DG Service

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

PureSpectra™, Spectrum pure

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

PureSpectra™, Spectrum pure

Names and Identifiers

Pubchem Sid

528769113

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

• 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