2,2,2-Tribromoethanol - ≥98%(GC) , CAS No.75-80-9

CAS: 75-80-9 Cat. No.: T161626 Molecular Weight: 282.76 EC Number: 200-903-1 PubChem CID: 6400

GRADE & PURITY ≥98%(GC)

Synonyms

Tribromoethanol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

2,2,2-Tribromoethanol is generally used as an anesthetic drug for rodents

Specifications

Synonyms

Tribromoethanol

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C(C(Br)(Br)Br)O
• IUPAC Name: 2,2,2-tribromoethanol
• InChIKey: YFDSDPIBEUFTMI-UHFFFAOYSA-N
• INCHI: 1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
• Isomeric SMILES: C(C(Br)(Br)Br)O
• WGK Germany: 3
• RTECS: KM3675000
• PubChem CID: 6400
• Molecular Weight: 282.76
• Reaxy-Rn: 1733249

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Bromohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromohydrins
• Alternative Parents: Primary alcohols Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• External Descriptors: Not available

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)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, ether, benzene and warmpetroleum ether. Partially soluble in water.
• Sensitivity: air&light sensitive
• Boil Point(°C): 94°C/11mmHg
• Melt Point(°C): 73°C-83.0 °C
• Molecular Weight: 282.760 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 281.771 Da
• Monoisotopic Mass: 279.773 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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

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